USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 886 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 HIS : no HE2:sc= 0.661 K(o=1.5,f=-5.7!) USER MOD Set 1.2: A 35 GLN : amide:sc= 0.882 K(o=1.5,f=-0.58) USER MOD Set 2.1: A 16 TYR OH : rot -151:sc= 0.0905 USER MOD Set 2.2: A 75 HIS : no HD1:sc= 0.00198 K(o=0.092,f=-0.53) USER MOD Single : A 10 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.041) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 12 SER OG : rot 180:sc= -0.54 USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0527) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 22 SER OG : rot 67:sc= 1.04 USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= -0.0154 (180deg=-0.183) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.433 USER MOD Single : A 27 MET CE :methyl -140:sc= -0.0881 (180deg=-0.5) USER MOD Single : A 28 SER OG : rot 180:sc= -0.017 USER MOD Single : A 30 HIS : no HD1:sc= -0.766 X(o=-0.77,f=-0.97) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0624 USER MOD Single : A 38 THR OG1 : rot 81:sc= 1.29 USER MOD Single : A 41 MET CE :methyl -162:sc= -0.187 (180deg=-0.758) USER MOD Single : A 42 GLN : amide:sc= 0.142 K(o=0.14,f=-0.55) USER MOD Single : A 43 SER OG : rot -98:sc= 1.29 USER MOD Single : A 44 SER OG : rot -39:sc= 0.176 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 49 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.19) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 47:sc= -0.72 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 1.39 (180deg=1.39) USER MOD Single : A 66 THR OG1 : rot -95:sc= 0.224 USER MOD Single : A 74 MET CE :methyl 152:sc= -1.58 (180deg=-3.01!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.087 X(o=-0.087,f=-0.11) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0981 X(o=-0.098,f=-0.091) USER MOD Single : A 109 HIS : no HD1:sc= -0.082 K(o=-0.082,f=-1.1) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -14.308 12.056 8.864 1.00 0.00 N ATOM 2 CA PRO A 1 -14.151 10.725 9.481 1.00 0.00 C ATOM 3 C PRO A 1 -13.128 10.779 10.612 1.00 0.00 C ATOM 4 O PRO A 1 -12.308 11.695 10.663 1.00 0.00 O ATOM 5 CB PRO A 1 -13.708 9.741 8.404 1.00 0.00 C ATOM 6 CG PRO A 1 -13.641 10.569 7.165 1.00 0.00 C ATOM 7 CD PRO A 1 -14.475 11.803 7.425 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.492 12.642 9.042 1.00 0.00 H new ATOM 0 H3 PRO A 1 -15.116 12.546 9.247 1.00 0.00 H new ATOM 0 HA PRO A 1 -15.100 10.400 9.907 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -12.741 9.298 8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.417 8.920 8.298 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -12.610 10.839 6.935 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -14.025 10.016 6.308 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -14.131 12.649 6.830 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.521 11.637 7.169 1.00 0.00 H new ATOM 17 N PRO A 2 -13.169 9.807 11.540 1.00 0.00 N ATOM 18 CA PRO A 2 -12.218 9.734 12.653 1.00 0.00 C ATOM 19 C PRO A 2 -10.786 9.561 12.163 1.00 0.00 C ATOM 20 O PRO A 2 -10.486 8.641 11.396 1.00 0.00 O ATOM 21 CB PRO A 2 -12.663 8.498 13.442 1.00 0.00 C ATOM 22 CG PRO A 2 -13.486 7.705 12.487 1.00 0.00 C ATOM 23 CD PRO A 2 -14.137 8.703 11.576 1.00 0.00 C ATOM 0 HA PRO A 2 -12.219 10.648 13.247 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.805 7.925 13.794 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.241 8.779 14.322 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.866 7.008 11.923 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.233 7.112 13.014 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.311 8.288 10.583 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.104 9.028 11.960 1.00 0.00 H new ATOM 31 N VAL A 3 -9.910 10.458 12.591 1.00 0.00 N ATOM 32 CA VAL A 3 -8.510 10.392 12.207 1.00 0.00 C ATOM 33 C VAL A 3 -7.821 9.189 12.854 1.00 0.00 C ATOM 34 O VAL A 3 -7.817 9.028 14.078 1.00 0.00 O ATOM 35 CB VAL A 3 -7.752 11.702 12.551 1.00 0.00 C ATOM 36 CG1 VAL A 3 -7.865 12.044 14.033 1.00 0.00 C ATOM 37 CG2 VAL A 3 -6.291 11.610 12.129 1.00 0.00 C ATOM 0 H VAL A 3 -10.145 11.239 13.204 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.481 10.269 11.124 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.223 12.509 11.990 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.322 12.967 14.236 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.914 12.175 14.297 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.439 11.235 14.627 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.780 12.540 12.380 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.813 10.781 12.651 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.233 11.443 11.053 1.00 0.00 H new ATOM 47 N ALA A 4 -7.277 8.327 12.019 1.00 0.00 N ATOM 48 CA ALA A 4 -6.553 7.160 12.489 1.00 0.00 C ATOM 49 C ALA A 4 -5.227 7.042 11.759 1.00 0.00 C ATOM 50 O ALA A 4 -4.647 5.955 11.672 1.00 0.00 O ATOM 51 CB ALA A 4 -7.400 5.911 12.293 1.00 0.00 C ATOM 0 H ALA A 4 -7.323 8.413 11.004 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.345 7.268 13.554 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.850 5.039 12.648 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.328 6.009 12.856 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.629 5.789 11.234 1.00 0.00 H new ATOM 57 N GLU A 5 -4.742 8.196 11.290 1.00 0.00 N ATOM 58 CA GLU A 5 -3.537 8.293 10.463 1.00 0.00 C ATOM 59 C GLU A 5 -3.799 7.737 9.069 1.00 0.00 C ATOM 60 O GLU A 5 -4.579 6.792 8.911 1.00 0.00 O ATOM 61 CB GLU A 5 -2.346 7.561 11.099 1.00 0.00 C ATOM 62 CG GLU A 5 -2.026 8.010 12.514 1.00 0.00 C ATOM 63 CD GLU A 5 -1.801 9.502 12.619 1.00 0.00 C ATOM 64 OE1 GLU A 5 -2.795 10.248 12.745 1.00 0.00 O ATOM 65 OE2 GLU A 5 -0.632 9.932 12.586 1.00 0.00 O ATOM 0 H GLU A 5 -5.180 9.098 11.476 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.282 9.350 10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.553 6.491 11.107 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.466 7.711 10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.844 7.723 13.175 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.136 7.487 12.863 1.00 0.00 H new ATOM 72 N TRP A 6 -3.168 8.352 8.064 1.00 0.00 N ATOM 73 CA TRP A 6 -3.228 7.870 6.686 1.00 0.00 C ATOM 74 C TRP A 6 -4.591 8.181 6.053 1.00 0.00 C ATOM 75 O TRP A 6 -5.635 7.710 6.510 1.00 0.00 O ATOM 76 CB TRP A 6 -2.904 6.373 6.665 1.00 0.00 C ATOM 77 CG TRP A 6 -2.784 5.777 5.309 1.00 0.00 C ATOM 78 CD1 TRP A 6 -2.248 6.349 4.197 1.00 0.00 C ATOM 79 CD2 TRP A 6 -3.189 4.467 4.939 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.300 5.468 3.147 1.00 0.00 N ATOM 81 CE2 TRP A 6 -2.877 4.302 3.581 1.00 0.00 C ATOM 82 CE3 TRP A 6 -3.790 3.416 5.632 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -3.145 3.124 2.901 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.058 2.246 4.958 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.735 2.109 3.604 1.00 0.00 C ATOM 0 H TRP A 6 -2.605 9.194 8.185 1.00 0.00 H new ATOM 0 HA TRP A 6 -2.485 8.390 6.082 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.969 6.211 7.201 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.682 5.840 7.212 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -1.842 7.349 4.148 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.965 5.650 2.201 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.040 3.518 6.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.897 3.012 1.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.523 1.424 5.481 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.957 1.179 3.101 1.00 0.00 H new ATOM 96 N ALA A 7 -4.571 8.985 4.991 1.00 0.00 N ATOM 97 CA ALA A 7 -5.792 9.539 4.405 1.00 0.00 C ATOM 98 C ALA A 7 -6.491 8.569 3.452 1.00 0.00 C ATOM 99 O ALA A 7 -6.559 8.797 2.241 1.00 0.00 O ATOM 100 CB ALA A 7 -5.491 10.853 3.699 1.00 0.00 C ATOM 0 H ALA A 7 -3.715 9.270 4.515 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.482 9.718 5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.409 11.253 3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.086 11.567 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.763 10.682 2.906 1.00 0.00 H new ATOM 106 N VAL A 8 -6.979 7.479 4.005 1.00 0.00 N ATOM 107 CA VAL A 8 -7.887 6.591 3.296 1.00 0.00 C ATOM 108 C VAL A 8 -9.146 6.379 4.144 1.00 0.00 C ATOM 109 O VAL A 8 -9.058 6.002 5.314 1.00 0.00 O ATOM 110 CB VAL A 8 -7.220 5.234 2.952 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.725 4.528 4.203 1.00 0.00 C ATOM 112 CG2 VAL A 8 -8.173 4.338 2.170 1.00 0.00 C ATOM 0 H VAL A 8 -6.761 7.181 4.956 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.157 7.057 2.348 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.356 5.444 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.263 3.580 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.991 5.156 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.565 4.341 4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.680 3.393 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.065 4.147 2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.457 4.832 1.241 1.00 0.00 H new ATOM 122 N PRO A 9 -10.332 6.665 3.574 1.00 0.00 N ATOM 123 CA PRO A 9 -11.609 6.549 4.290 1.00 0.00 C ATOM 124 C PRO A 9 -11.780 5.188 4.956 1.00 0.00 C ATOM 125 O PRO A 9 -11.494 4.152 4.354 1.00 0.00 O ATOM 126 CB PRO A 9 -12.653 6.743 3.192 1.00 0.00 C ATOM 127 CG PRO A 9 -11.963 7.547 2.149 1.00 0.00 C ATOM 128 CD PRO A 9 -10.519 7.127 2.187 1.00 0.00 C ATOM 0 HA PRO A 9 -11.687 7.273 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.991 5.786 2.794 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.534 7.260 3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.396 7.364 1.166 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.064 8.614 2.349 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.313 6.334 1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.853 7.956 1.947 1.00 0.00 H new ATOM 136 N GLN A 10 -12.251 5.202 6.200 1.00 0.00 N ATOM 137 CA GLN A 10 -12.403 3.983 6.989 1.00 0.00 C ATOM 138 C GLN A 10 -13.284 2.967 6.268 1.00 0.00 C ATOM 139 O GLN A 10 -12.916 1.803 6.133 1.00 0.00 O ATOM 140 CB GLN A 10 -13.005 4.311 8.360 1.00 0.00 C ATOM 141 CG GLN A 10 -13.051 3.125 9.311 1.00 0.00 C ATOM 142 CD GLN A 10 -13.852 3.407 10.568 1.00 0.00 C ATOM 143 OE1 GLN A 10 -13.558 2.880 11.642 1.00 0.00 O ATOM 144 NE2 GLN A 10 -14.880 4.233 10.442 1.00 0.00 N ATOM 0 H GLN A 10 -12.536 6.052 6.687 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.414 3.545 7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.424 5.111 8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.017 4.692 8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.484 2.268 8.795 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.034 2.849 9.589 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.091 4.650 9.535 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.460 4.452 11.252 1.00 0.00 H new ATOM 153 N SER A 11 -14.430 3.424 5.789 1.00 0.00 N ATOM 154 CA SER A 11 -15.377 2.560 5.101 1.00 0.00 C ATOM 155 C SER A 11 -14.743 1.939 3.855 1.00 0.00 C ATOM 156 O SER A 11 -15.018 0.788 3.510 1.00 0.00 O ATOM 157 CB SER A 11 -16.609 3.373 4.718 1.00 0.00 C ATOM 158 OG SER A 11 -16.990 4.231 5.782 1.00 0.00 O ATOM 0 H SER A 11 -14.729 4.396 5.865 1.00 0.00 H new ATOM 0 HA SER A 11 -15.667 1.748 5.768 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.400 3.962 3.825 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.432 2.702 4.472 1.00 0.00 H new ATOM 0 HG SER A 11 -17.781 4.747 5.519 1.00 0.00 H new ATOM 164 N SER A 12 -13.887 2.703 3.191 1.00 0.00 N ATOM 165 CA SER A 12 -13.204 2.220 2.003 1.00 0.00 C ATOM 166 C SER A 12 -12.089 1.246 2.376 1.00 0.00 C ATOM 167 O SER A 12 -11.973 0.170 1.791 1.00 0.00 O ATOM 168 CB SER A 12 -12.631 3.399 1.217 1.00 0.00 C ATOM 169 OG SER A 12 -13.610 4.407 1.033 1.00 0.00 O ATOM 0 H SER A 12 -13.650 3.659 3.456 1.00 0.00 H new ATOM 0 HA SER A 12 -13.926 1.691 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.773 3.812 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.271 3.055 0.248 1.00 0.00 H new ATOM 0 HG SER A 12 -13.221 5.152 0.529 1.00 0.00 H new ATOM 175 N ARG A 13 -11.290 1.615 3.378 1.00 0.00 N ATOM 176 CA ARG A 13 -10.127 0.817 3.756 1.00 0.00 C ATOM 177 C ARG A 13 -10.551 -0.525 4.345 1.00 0.00 C ATOM 178 O ARG A 13 -9.858 -1.523 4.178 1.00 0.00 O ATOM 179 CB ARG A 13 -9.218 1.582 4.735 1.00 0.00 C ATOM 180 CG ARG A 13 -9.828 1.857 6.093 1.00 0.00 C ATOM 181 CD ARG A 13 -8.916 2.731 6.945 1.00 0.00 C ATOM 182 NE ARG A 13 -7.676 2.053 7.332 1.00 0.00 N ATOM 183 CZ ARG A 13 -6.581 2.690 7.762 1.00 0.00 C ATOM 184 NH1 ARG A 13 -6.552 4.021 7.798 1.00 0.00 N ATOM 185 NH2 ARG A 13 -5.518 1.993 8.149 1.00 0.00 N ATOM 0 H ARG A 13 -11.427 2.456 3.938 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.553 0.623 2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.299 1.012 4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.938 2.532 4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.793 2.349 5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.015 0.914 6.607 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.671 3.638 6.393 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.451 3.039 7.843 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.646 1.035 7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.366 4.557 7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.716 4.504 8.126 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.538 0.974 8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.682 2.477 8.477 1.00 0.00 H new ATOM 199 N LEU A 14 -11.698 -0.548 5.016 1.00 0.00 N ATOM 200 CA LEU A 14 -12.241 -1.785 5.561 1.00 0.00 C ATOM 201 C LEU A 14 -12.582 -2.766 4.445 1.00 0.00 C ATOM 202 O LEU A 14 -12.351 -3.968 4.566 1.00 0.00 O ATOM 203 CB LEU A 14 -13.484 -1.487 6.396 1.00 0.00 C ATOM 204 CG LEU A 14 -13.224 -0.795 7.735 1.00 0.00 C ATOM 205 CD1 LEU A 14 -14.530 -0.539 8.466 1.00 0.00 C ATOM 206 CD2 LEU A 14 -12.285 -1.625 8.598 1.00 0.00 C ATOM 0 H LEU A 14 -12.269 0.278 5.195 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.483 -2.242 6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.155 -0.862 5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.007 -2.424 6.586 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.746 0.164 7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.325 -0.046 9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.169 0.100 7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.035 -1.487 8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.114 -1.114 9.545 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.732 -2.601 8.788 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.335 -1.756 8.080 1.00 0.00 H new ATOM 218 N LYS A 15 -13.119 -2.234 3.357 1.00 0.00 N ATOM 219 CA LYS A 15 -13.481 -3.037 2.191 1.00 0.00 C ATOM 220 C LYS A 15 -12.262 -3.737 1.588 1.00 0.00 C ATOM 221 O LYS A 15 -12.347 -4.891 1.171 1.00 0.00 O ATOM 222 CB LYS A 15 -14.158 -2.145 1.146 1.00 0.00 C ATOM 223 CG LYS A 15 -14.487 -2.849 -0.161 1.00 0.00 C ATOM 224 CD LYS A 15 -15.249 -1.931 -1.106 1.00 0.00 C ATOM 225 CE LYS A 15 -15.501 -2.590 -2.454 1.00 0.00 C ATOM 226 NZ LYS A 15 -14.252 -2.736 -3.251 1.00 0.00 N ATOM 0 H LYS A 15 -13.317 -1.239 3.254 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.175 -3.814 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -15.078 -1.743 1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.508 -1.296 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.566 -3.183 -0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.082 -3.740 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.201 -1.653 -0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.685 -1.010 -1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.948 -3.572 -2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.222 -1.997 -3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.487 -3.079 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.776 -1.814 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.620 -3.417 -2.784 1.00 0.00 H new ATOM 240 N TYR A 16 -11.130 -3.051 1.542 1.00 0.00 N ATOM 241 CA TYR A 16 -9.920 -3.664 1.005 1.00 0.00 C ATOM 242 C TYR A 16 -9.220 -4.468 2.090 1.00 0.00 C ATOM 243 O TYR A 16 -8.525 -5.429 1.799 1.00 0.00 O ATOM 244 CB TYR A 16 -8.934 -2.624 0.459 1.00 0.00 C ATOM 245 CG TYR A 16 -9.547 -1.404 -0.201 1.00 0.00 C ATOM 246 CD1 TYR A 16 -10.321 -1.496 -1.352 1.00 0.00 C ATOM 247 CD2 TYR A 16 -9.313 -0.144 0.327 1.00 0.00 C ATOM 248 CE1 TYR A 16 -10.839 -0.361 -1.955 1.00 0.00 C ATOM 249 CE2 TYR A 16 -9.829 0.989 -0.263 1.00 0.00 C ATOM 250 CZ TYR A 16 -10.590 0.880 -1.401 1.00 0.00 C ATOM 251 OH TYR A 16 -11.090 2.021 -1.988 1.00 0.00 O ATOM 0 H TYR A 16 -11.021 -2.089 1.862 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.230 -4.309 0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.301 -2.288 1.280 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.284 -3.115 -0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.521 -2.466 -1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.713 -0.048 1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.434 -0.446 -2.853 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.636 1.960 0.168 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.499 2.777 -1.789 1.00 0.00 H new ATOM 261 N ARG A 17 -9.393 -4.064 3.345 1.00 0.00 N ATOM 262 CA ARG A 17 -8.859 -4.823 4.470 1.00 0.00 C ATOM 263 C ARG A 17 -9.526 -6.188 4.529 1.00 0.00 C ATOM 264 O ARG A 17 -8.981 -7.133 5.076 1.00 0.00 O ATOM 265 CB ARG A 17 -9.050 -4.080 5.792 1.00 0.00 C ATOM 266 CG ARG A 17 -8.409 -4.795 6.970 1.00 0.00 C ATOM 267 CD ARG A 17 -8.434 -3.947 8.226 1.00 0.00 C ATOM 268 NE ARG A 17 -7.888 -4.667 9.376 1.00 0.00 N ATOM 269 CZ ARG A 17 -6.898 -4.218 10.145 1.00 0.00 C ATOM 270 NH1 ARG A 17 -6.333 -3.045 9.896 1.00 0.00 N ATOM 271 NH2 ARG A 17 -6.475 -4.946 11.171 1.00 0.00 N ATOM 0 H ARG A 17 -9.898 -3.217 3.608 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.787 -4.948 4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.625 -3.080 5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.116 -3.958 5.984 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.933 -5.733 7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.378 -5.049 6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.859 -3.036 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.459 -3.644 8.440 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.293 -5.575 9.604 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.656 -2.480 9.111 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.575 -2.708 10.490 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.908 -5.848 11.369 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.717 -4.604 11.761 1.00 0.00 H new ATOM 285 N GLN A 18 -10.722 -6.256 3.964 1.00 0.00 N ATOM 286 CA GLN A 18 -11.499 -7.485 3.859 1.00 0.00 C ATOM 287 C GLN A 18 -10.913 -8.448 2.823 1.00 0.00 C ATOM 288 O GLN A 18 -11.267 -9.626 2.774 1.00 0.00 O ATOM 289 CB GLN A 18 -12.917 -7.122 3.454 1.00 0.00 C ATOM 290 CG GLN A 18 -13.922 -7.222 4.586 1.00 0.00 C ATOM 291 CD GLN A 18 -15.334 -6.914 4.132 1.00 0.00 C ATOM 292 OE1 GLN A 18 -15.698 -7.171 2.986 1.00 0.00 O ATOM 293 NE2 GLN A 18 -16.141 -6.364 5.025 1.00 0.00 N ATOM 0 H GLN A 18 -11.189 -5.445 3.558 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.479 -7.988 4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.924 -6.104 3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.232 -7.777 2.642 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.890 -8.226 5.009 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.640 -6.532 5.381 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.801 -6.166 5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.103 -6.138 4.772 1.00 0.00 H new ATOM 302 N LEU A 19 -10.017 -7.932 2.005 1.00 0.00 N ATOM 303 CA LEU A 19 -9.475 -8.658 0.850 1.00 0.00 C ATOM 304 C LEU A 19 -8.120 -8.114 0.480 1.00 0.00 C ATOM 305 O LEU A 19 -7.799 -8.080 -0.700 1.00 0.00 O ATOM 306 CB LEU A 19 -10.358 -8.341 -0.344 1.00 0.00 C ATOM 307 CG LEU A 19 -10.369 -9.380 -1.471 1.00 0.00 C ATOM 308 CD1 LEU A 19 -10.925 -10.705 -0.991 1.00 0.00 C ATOM 309 CD2 LEU A 19 -11.155 -8.857 -2.662 1.00 0.00 C ATOM 0 H LEU A 19 -9.636 -6.992 2.115 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.424 -9.719 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.380 -8.209 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.040 -7.386 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.340 -9.553 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.920 -11.421 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.309 -11.084 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.947 -10.565 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.155 -9.605 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.181 -8.651 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.694 -7.940 -3.028 1.00 0.00 H new ATOM 321 N PHE A 20 -7.276 -7.753 1.426 1.00 0.00 N ATOM 322 CA PHE A 20 -6.676 -8.596 2.485 1.00 0.00 C ATOM 323 C PHE A 20 -7.506 -9.732 3.122 1.00 0.00 C ATOM 324 O PHE A 20 -7.357 -10.875 2.706 1.00 0.00 O ATOM 325 CB PHE A 20 -6.185 -7.653 3.582 1.00 0.00 C ATOM 326 CG PHE A 20 -4.997 -8.155 4.339 1.00 0.00 C ATOM 327 CD1 PHE A 20 -3.766 -8.273 3.717 1.00 0.00 C ATOM 328 CD2 PHE A 20 -5.106 -8.489 5.677 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.664 -8.722 4.413 1.00 0.00 C ATOM 330 CE2 PHE A 20 -4.008 -8.940 6.378 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.785 -9.056 5.745 1.00 0.00 C ATOM 0 H PHE A 20 -6.955 -6.787 1.495 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.900 -9.159 1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.935 -6.691 3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.000 -7.475 4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.668 -8.010 2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.059 -8.396 6.176 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.709 -8.812 3.916 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.103 -9.203 7.421 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.924 -9.408 6.294 1.00 0.00 H new ATOM 341 N ASN A 21 -8.372 -9.430 4.086 1.00 0.00 N ATOM 342 CA ASN A 21 -8.797 -10.401 5.128 1.00 0.00 C ATOM 343 C ASN A 21 -9.201 -11.785 4.606 1.00 0.00 C ATOM 344 O ASN A 21 -8.850 -12.791 5.219 1.00 0.00 O ATOM 345 CB ASN A 21 -9.956 -9.816 5.947 1.00 0.00 C ATOM 346 CG ASN A 21 -10.513 -10.783 6.975 1.00 0.00 C ATOM 347 OD1 ASN A 21 -11.456 -11.529 6.701 1.00 0.00 O ATOM 348 ND2 ASN A 21 -9.941 -10.774 8.169 1.00 0.00 N ATOM 0 H ASN A 21 -8.806 -8.512 4.179 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.911 -10.560 5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.614 -8.914 6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.756 -9.517 5.269 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.278 -11.399 8.901 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.163 -10.142 8.357 1.00 0.00 H new ATOM 355 N SER A 22 -9.918 -11.854 3.497 1.00 0.00 N ATOM 356 CA SER A 22 -10.350 -13.138 2.948 1.00 0.00 C ATOM 357 C SER A 22 -9.153 -14.029 2.571 1.00 0.00 C ATOM 358 O SER A 22 -9.275 -15.252 2.491 1.00 0.00 O ATOM 359 CB SER A 22 -11.246 -12.907 1.738 1.00 0.00 C ATOM 360 OG SER A 22 -12.372 -12.111 2.078 1.00 0.00 O ATOM 0 H SER A 22 -10.215 -11.041 2.957 1.00 0.00 H new ATOM 0 HA SER A 22 -10.914 -13.662 3.720 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.676 -12.417 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.581 -13.866 1.342 1.00 0.00 H new ATOM 0 HG SER A 22 -12.075 -11.206 2.308 1.00 0.00 H new ATOM 366 N HIS A 23 -8.004 -13.406 2.327 1.00 0.00 N ATOM 367 CA HIS A 23 -6.788 -14.128 1.955 1.00 0.00 C ATOM 368 C HIS A 23 -5.919 -14.409 3.180 1.00 0.00 C ATOM 369 O HIS A 23 -4.875 -15.056 3.077 1.00 0.00 O ATOM 370 CB HIS A 23 -5.976 -13.327 0.931 1.00 0.00 C ATOM 371 CG HIS A 23 -6.579 -13.289 -0.439 1.00 0.00 C ATOM 372 ND1 HIS A 23 -5.909 -13.711 -1.564 1.00 0.00 N ATOM 373 CD2 HIS A 23 -7.792 -12.865 -0.865 1.00 0.00 C ATOM 374 CE1 HIS A 23 -6.684 -13.545 -2.620 1.00 0.00 C ATOM 375 NE2 HIS A 23 -7.833 -13.035 -2.226 1.00 0.00 N ATOM 0 H HIS A 23 -7.888 -12.394 2.380 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.092 -15.077 1.513 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.862 -12.305 1.294 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.976 -13.754 0.863 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -4.963 -14.092 -1.580 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.583 -12.466 -0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.420 -13.787 -3.639 1.00 0.00 H new ATOM 384 N ASP A 24 -6.351 -13.926 4.335 1.00 0.00 N ATOM 385 CA ASP A 24 -5.584 -14.090 5.565 1.00 0.00 C ATOM 386 C ASP A 24 -6.188 -15.216 6.400 1.00 0.00 C ATOM 387 O ASP A 24 -7.336 -15.613 6.182 1.00 0.00 O ATOM 388 CB ASP A 24 -5.574 -12.783 6.368 1.00 0.00 C ATOM 389 CG ASP A 24 -4.410 -12.696 7.342 1.00 0.00 C ATOM 390 OD1 ASP A 24 -4.355 -13.495 8.299 1.00 0.00 O ATOM 391 OD2 ASP A 24 -3.547 -11.822 7.155 1.00 0.00 O ATOM 0 H ASP A 24 -7.228 -13.417 4.449 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.555 -14.345 5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.529 -11.940 5.679 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.510 -12.694 6.919 1.00 0.00 H new ATOM 396 N LYS A 25 -5.425 -15.726 7.353 1.00 0.00 N ATOM 397 CA LYS A 25 -5.884 -16.818 8.196 1.00 0.00 C ATOM 398 C LYS A 25 -6.271 -16.301 9.577 1.00 0.00 C ATOM 399 O LYS A 25 -7.067 -16.920 10.281 1.00 0.00 O ATOM 400 CB LYS A 25 -4.798 -17.890 8.317 1.00 0.00 C ATOM 401 CG LYS A 25 -4.344 -18.441 6.975 1.00 0.00 C ATOM 402 CD LYS A 25 -3.323 -19.557 7.139 1.00 0.00 C ATOM 403 CE LYS A 25 -2.791 -20.025 5.792 1.00 0.00 C ATOM 404 NZ LYS A 25 -1.976 -18.975 5.124 1.00 0.00 N ATOM 0 H LYS A 25 -4.482 -15.400 7.563 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.765 -17.263 7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.938 -17.469 8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.173 -18.709 8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.207 -18.816 6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.911 -17.637 6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.496 -19.208 7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.780 -20.396 7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.186 -20.921 5.932 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.626 -20.302 5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.442 -19.398 4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.603 -18.231 4.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.313 -18.561 5.810 1.00 0.00 H new ATOM 418 N THR A 26 -5.711 -15.159 9.955 1.00 0.00 N ATOM 419 CA THR A 26 -5.996 -14.553 11.246 1.00 0.00 C ATOM 420 C THR A 26 -6.127 -13.039 11.107 1.00 0.00 C ATOM 421 O THR A 26 -7.238 -12.502 11.055 1.00 0.00 O ATOM 422 CB THR A 26 -4.904 -14.888 12.292 1.00 0.00 C ATOM 423 OG1 THR A 26 -3.595 -14.607 11.764 1.00 0.00 O ATOM 424 CG2 THR A 26 -4.976 -16.345 12.719 1.00 0.00 C ATOM 0 H THR A 26 -5.053 -14.632 9.381 1.00 0.00 H new ATOM 0 HA THR A 26 -6.940 -14.969 11.597 1.00 0.00 H new ATOM 0 HB THR A 26 -5.084 -14.261 13.165 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.917 -14.823 12.438 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.197 -16.548 13.453 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.952 -16.547 13.160 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.831 -16.986 11.850 1.00 0.00 H new ATOM 432 N MET A 27 -4.985 -12.363 11.029 1.00 0.00 N ATOM 433 CA MET A 27 -4.938 -10.919 10.853 1.00 0.00 C ATOM 434 C MET A 27 -3.508 -10.472 10.576 1.00 0.00 C ATOM 435 O MET A 27 -2.605 -10.750 11.367 1.00 0.00 O ATOM 436 CB MET A 27 -5.468 -10.194 12.096 1.00 0.00 C ATOM 437 CG MET A 27 -5.447 -8.678 11.966 1.00 0.00 C ATOM 438 SD MET A 27 -6.022 -7.833 13.454 1.00 0.00 S ATOM 439 CE MET A 27 -7.701 -8.446 13.579 1.00 0.00 C ATOM 0 H MET A 27 -4.067 -12.803 11.086 1.00 0.00 H new ATOM 0 HA MET A 27 -5.573 -10.663 10.004 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.490 -10.521 12.290 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.871 -10.486 12.960 1.00 0.00 H new ATOM 0 HG2 MET A 27 -4.432 -8.353 11.740 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.072 -8.383 11.123 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.362 -7.636 13.886 1.00 0.00 H new ATOM 0 HE2 MET A 27 -8.022 -8.829 12.610 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.742 -9.247 14.317 1.00 0.00 H new ATOM 449 N SER A 28 -3.313 -9.816 9.438 1.00 0.00 N ATOM 450 CA SER A 28 -2.043 -9.176 9.106 1.00 0.00 C ATOM 451 C SER A 28 -0.913 -10.193 8.923 1.00 0.00 C ATOM 452 O SER A 28 0.230 -9.938 9.303 1.00 0.00 O ATOM 453 CB SER A 28 -1.683 -8.148 10.184 1.00 0.00 C ATOM 454 OG SER A 28 -2.713 -7.178 10.319 1.00 0.00 O ATOM 0 H SER A 28 -4.029 -9.712 8.719 1.00 0.00 H new ATOM 0 HA SER A 28 -2.165 -8.667 8.150 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.526 -8.653 11.137 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.745 -7.656 9.925 1.00 0.00 H new ATOM 0 HG SER A 28 -2.465 -6.532 11.013 1.00 0.00 H new ATOM 460 N GLY A 29 -1.228 -11.321 8.291 1.00 0.00 N ATOM 461 CA GLY A 29 -0.218 -12.327 7.999 1.00 0.00 C ATOM 462 C GLY A 29 0.527 -12.017 6.712 1.00 0.00 C ATOM 463 O GLY A 29 1.313 -12.830 6.227 1.00 0.00 O ATOM 0 H GLY A 29 -2.168 -11.558 7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.490 -12.382 8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.691 -13.306 7.919 1.00 0.00 H new ATOM 467 N HIS A 30 0.242 -10.825 6.182 1.00 0.00 N ATOM 468 CA HIS A 30 0.852 -10.252 4.968 1.00 0.00 C ATOM 469 C HIS A 30 0.625 -11.086 3.708 1.00 0.00 C ATOM 470 O HIS A 30 0.565 -12.314 3.731 1.00 0.00 O ATOM 471 CB HIS A 30 2.353 -9.926 5.141 1.00 0.00 C ATOM 472 CG HIS A 30 3.306 -11.089 5.114 1.00 0.00 C ATOM 473 ND1 HIS A 30 3.926 -11.583 6.240 1.00 0.00 N ATOM 474 CD2 HIS A 30 3.777 -11.826 4.079 1.00 0.00 C ATOM 475 CE1 HIS A 30 4.733 -12.571 5.901 1.00 0.00 C ATOM 476 NE2 HIS A 30 4.662 -12.740 4.593 1.00 0.00 N ATOM 0 H HIS A 30 -0.449 -10.202 6.601 1.00 0.00 H new ATOM 0 HA HIS A 30 0.320 -9.311 4.824 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.643 -9.231 4.353 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.480 -9.404 6.089 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.505 -11.714 3.040 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.348 -13.145 6.579 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.179 -13.435 4.054 1.00 0.00 H new ATOM 485 N LEU A 31 0.505 -10.383 2.603 1.00 0.00 N ATOM 486 CA LEU A 31 0.345 -11.015 1.306 1.00 0.00 C ATOM 487 C LEU A 31 1.608 -10.819 0.488 1.00 0.00 C ATOM 488 O LEU A 31 2.278 -9.793 0.599 1.00 0.00 O ATOM 489 CB LEU A 31 -0.866 -10.441 0.563 1.00 0.00 C ATOM 490 CG LEU A 31 -2.218 -10.669 1.245 1.00 0.00 C ATOM 491 CD1 LEU A 31 -3.343 -10.072 0.413 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.456 -12.154 1.473 1.00 0.00 C ATOM 0 H LEU A 31 0.515 -9.363 2.575 1.00 0.00 H new ATOM 0 HA LEU A 31 0.172 -12.081 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.718 -9.369 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.902 -10.880 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.203 -10.169 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.296 -10.244 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.181 -9.000 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.359 -10.544 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.421 -12.297 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.451 -12.675 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.667 -12.556 2.109 1.00 0.00 H new ATOM 504 N THR A 32 1.945 -11.811 -0.310 1.00 0.00 N ATOM 505 CA THR A 32 3.150 -11.765 -1.109 1.00 0.00 C ATOM 506 C THR A 32 2.912 -11.041 -2.432 1.00 0.00 C ATOM 507 O THR A 32 1.765 -10.800 -2.818 1.00 0.00 O ATOM 508 CB THR A 32 3.669 -13.187 -1.385 1.00 0.00 C ATOM 509 OG1 THR A 32 2.564 -14.055 -1.679 1.00 0.00 O ATOM 510 CG2 THR A 32 4.449 -13.725 -0.194 1.00 0.00 C ATOM 0 H THR A 32 1.397 -12.664 -0.422 1.00 0.00 H new ATOM 0 HA THR A 32 3.899 -11.212 -0.542 1.00 0.00 H new ATOM 0 HB THR A 32 4.342 -13.149 -2.242 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.897 -14.960 -1.856 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.804 -14.731 -0.416 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.301 -13.075 0.006 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.801 -13.754 0.682 1.00 0.00 H new ATOM 518 N GLY A 33 4.009 -10.696 -3.108 1.00 0.00 N ATOM 519 CA GLY A 33 3.947 -10.032 -4.400 1.00 0.00 C ATOM 520 C GLY A 33 2.944 -10.655 -5.360 1.00 0.00 C ATOM 521 O GLY A 33 1.993 -9.991 -5.768 1.00 0.00 O ATOM 0 H GLY A 33 4.957 -10.870 -2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.689 -8.984 -4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.936 -10.053 -4.857 1.00 0.00 H new ATOM 525 N PRO A 34 3.145 -11.925 -5.762 1.00 0.00 N ATOM 526 CA PRO A 34 2.240 -12.617 -6.688 1.00 0.00 C ATOM 527 C PRO A 34 0.771 -12.503 -6.285 1.00 0.00 C ATOM 528 O PRO A 34 -0.073 -12.183 -7.117 1.00 0.00 O ATOM 529 CB PRO A 34 2.704 -14.069 -6.611 1.00 0.00 C ATOM 530 CG PRO A 34 4.148 -13.977 -6.265 1.00 0.00 C ATOM 531 CD PRO A 34 4.280 -12.783 -5.363 1.00 0.00 C ATOM 0 HA PRO A 34 2.284 -12.188 -7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.149 -14.624 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.555 -14.585 -7.559 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.488 -14.884 -5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.758 -13.859 -7.161 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.220 -13.065 -4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.235 -12.277 -5.504 1.00 0.00 H new ATOM 539 N GLN A 35 0.469 -12.751 -5.012 1.00 0.00 N ATOM 540 CA GLN A 35 -0.905 -12.654 -4.524 1.00 0.00 C ATOM 541 C GLN A 35 -1.442 -11.240 -4.683 1.00 0.00 C ATOM 542 O GLN A 35 -2.554 -11.043 -5.178 1.00 0.00 O ATOM 543 CB GLN A 35 -1.012 -13.088 -3.061 1.00 0.00 C ATOM 544 CG GLN A 35 -1.450 -14.534 -2.889 1.00 0.00 C ATOM 545 CD GLN A 35 -2.023 -14.800 -1.514 1.00 0.00 C ATOM 546 OE1 GLN A 35 -3.226 -14.634 -1.289 1.00 0.00 O ATOM 547 NE2 GLN A 35 -1.178 -15.226 -0.591 1.00 0.00 N ATOM 0 H GLN A 35 1.152 -13.019 -4.304 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.509 -13.331 -5.129 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.045 -12.949 -2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.721 -12.438 -2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.197 -14.778 -3.645 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.598 -15.192 -3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.192 -15.349 -0.820 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.512 -15.431 0.351 1.00 0.00 H new ATOM 556 N ALA A 36 -0.642 -10.263 -4.277 1.00 0.00 N ATOM 557 CA ALA A 36 -1.005 -8.859 -4.414 1.00 0.00 C ATOM 558 C ALA A 36 -1.270 -8.514 -5.879 1.00 0.00 C ATOM 559 O ALA A 36 -2.286 -7.904 -6.213 1.00 0.00 O ATOM 560 CB ALA A 36 0.103 -7.984 -3.868 1.00 0.00 C ATOM 0 H ALA A 36 0.270 -10.419 -3.847 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.917 -8.678 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.176 -6.936 -3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.261 -8.213 -2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.022 -8.173 -4.422 1.00 0.00 H new ATOM 566 N ARG A 37 -0.355 -8.936 -6.747 1.00 0.00 N ATOM 567 CA ARG A 37 -0.453 -8.669 -8.178 1.00 0.00 C ATOM 568 C ARG A 37 -1.667 -9.352 -8.791 1.00 0.00 C ATOM 569 O ARG A 37 -2.298 -8.810 -9.692 1.00 0.00 O ATOM 570 CB ARG A 37 0.815 -9.123 -8.904 1.00 0.00 C ATOM 571 CG ARG A 37 1.947 -8.114 -8.847 1.00 0.00 C ATOM 572 CD ARG A 37 3.112 -8.547 -9.722 1.00 0.00 C ATOM 573 NE ARG A 37 3.811 -9.710 -9.177 1.00 0.00 N ATOM 574 CZ ARG A 37 3.858 -10.906 -9.762 1.00 0.00 C ATOM 575 NH1 ARG A 37 3.166 -11.145 -10.874 1.00 0.00 N ATOM 576 NH2 ARG A 37 4.588 -11.867 -9.212 1.00 0.00 N ATOM 0 H ARG A 37 0.472 -9.470 -6.480 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.567 -7.592 -8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.156 -10.062 -8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.573 -9.325 -9.947 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.586 -7.139 -9.174 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.285 -8.000 -7.817 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.746 -8.781 -10.722 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.814 -7.719 -9.825 1.00 0.00 H new ATOM 0 HE ARG A 37 4.296 -9.598 -8.287 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.593 -10.409 -11.286 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.209 -12.064 -11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.105 -11.686 -8.351 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.633 -12.787 -9.650 1.00 0.00 H new ATOM 590 N THR A 38 -1.992 -10.533 -8.295 1.00 0.00 N ATOM 591 CA THR A 38 -3.127 -11.287 -8.799 1.00 0.00 C ATOM 592 C THR A 38 -4.425 -10.510 -8.581 1.00 0.00 C ATOM 593 O THR A 38 -5.299 -10.481 -9.448 1.00 0.00 O ATOM 594 CB THR A 38 -3.218 -12.668 -8.120 1.00 0.00 C ATOM 595 OG1 THR A 38 -2.006 -13.401 -8.353 1.00 0.00 O ATOM 596 CG2 THR A 38 -4.407 -13.468 -8.638 1.00 0.00 C ATOM 0 H THR A 38 -1.483 -10.993 -7.540 1.00 0.00 H new ATOM 0 HA THR A 38 -2.981 -11.438 -9.869 1.00 0.00 H new ATOM 0 HB THR A 38 -3.358 -12.509 -7.051 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.320 -13.109 -7.718 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.440 -14.436 -8.138 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.329 -12.923 -8.435 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.304 -13.619 -9.713 1.00 0.00 H new ATOM 604 N ILE A 39 -4.546 -9.874 -7.423 1.00 0.00 N ATOM 605 CA ILE A 39 -5.706 -9.046 -7.136 1.00 0.00 C ATOM 606 C ILE A 39 -5.627 -7.727 -7.912 1.00 0.00 C ATOM 607 O ILE A 39 -6.642 -7.195 -8.362 1.00 0.00 O ATOM 608 CB ILE A 39 -5.853 -8.781 -5.622 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.919 -10.115 -4.865 1.00 0.00 C ATOM 610 CG2 ILE A 39 -7.094 -7.943 -5.340 1.00 0.00 C ATOM 611 CD1 ILE A 39 -6.017 -9.967 -3.362 1.00 0.00 C ATOM 0 H ILE A 39 -3.858 -9.916 -6.671 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.593 -9.590 -7.461 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.984 -8.221 -5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.780 -10.680 -5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.032 -10.701 -5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.179 -7.768 -4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.013 -6.988 -5.858 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.979 -8.473 -5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.059 -10.954 -2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.143 -9.431 -2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.919 -9.410 -3.109 1.00 0.00 H new ATOM 623 N LEU A 40 -4.412 -7.217 -8.085 1.00 0.00 N ATOM 624 CA LEU A 40 -4.191 -6.012 -8.880 1.00 0.00 C ATOM 625 C LEU A 40 -4.661 -6.222 -10.322 1.00 0.00 C ATOM 626 O LEU A 40 -5.279 -5.338 -10.918 1.00 0.00 O ATOM 627 CB LEU A 40 -2.706 -5.626 -8.868 1.00 0.00 C ATOM 628 CG LEU A 40 -2.164 -5.124 -7.527 1.00 0.00 C ATOM 629 CD1 LEU A 40 -0.685 -4.781 -7.647 1.00 0.00 C ATOM 630 CD2 LEU A 40 -2.957 -3.915 -7.056 1.00 0.00 C ATOM 0 H LEU A 40 -3.564 -7.619 -7.685 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.771 -5.203 -8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.121 -6.493 -9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.544 -4.852 -9.618 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.274 -5.918 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.315 -4.426 -6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.128 -5.670 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.552 -4.002 -8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.560 -3.569 -6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.876 -3.117 -7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.004 -4.192 -6.935 1.00 0.00 H new ATOM 642 N MET A 41 -4.388 -7.410 -10.858 1.00 0.00 N ATOM 643 CA MET A 41 -4.756 -7.762 -12.233 1.00 0.00 C ATOM 644 C MET A 41 -6.272 -7.784 -12.429 1.00 0.00 C ATOM 645 O MET A 41 -6.760 -7.697 -13.556 1.00 0.00 O ATOM 646 CB MET A 41 -4.173 -9.132 -12.612 1.00 0.00 C ATOM 647 CG MET A 41 -2.661 -9.136 -12.789 1.00 0.00 C ATOM 648 SD MET A 41 -2.114 -8.122 -14.175 1.00 0.00 S ATOM 649 CE MET A 41 -2.941 -8.929 -15.544 1.00 0.00 C ATOM 0 H MET A 41 -3.907 -8.156 -10.355 1.00 0.00 H new ATOM 0 HA MET A 41 -4.339 -6.993 -12.883 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.440 -9.854 -11.841 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.638 -9.469 -13.539 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.192 -8.775 -11.874 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.321 -10.161 -12.938 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.466 -8.635 -16.480 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.871 -10.010 -15.425 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.990 -8.633 -15.561 1.00 0.00 H new ATOM 659 N GLN A 42 -7.014 -7.879 -11.333 1.00 0.00 N ATOM 660 CA GLN A 42 -8.470 -7.970 -11.403 1.00 0.00 C ATOM 661 C GLN A 42 -9.086 -6.650 -11.862 1.00 0.00 C ATOM 662 O GLN A 42 -10.270 -6.596 -12.199 1.00 0.00 O ATOM 663 CB GLN A 42 -9.045 -8.364 -10.042 1.00 0.00 C ATOM 664 CG GLN A 42 -8.471 -9.659 -9.488 1.00 0.00 C ATOM 665 CD GLN A 42 -8.800 -10.865 -10.346 1.00 0.00 C ATOM 666 OE1 GLN A 42 -9.854 -10.924 -10.980 1.00 0.00 O ATOM 667 NE2 GLN A 42 -7.890 -11.825 -10.390 1.00 0.00 N ATOM 0 H GLN A 42 -6.634 -7.895 -10.386 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.720 -8.738 -12.135 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.856 -7.560 -9.331 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.127 -8.465 -10.130 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.388 -9.564 -9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.856 -9.820 -8.481 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.030 -11.737 -9.849 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.049 -12.653 -10.965 1.00 0.00 H new ATOM 676 N SER A 43 -8.280 -5.595 -11.876 1.00 0.00 N ATOM 677 CA SER A 43 -8.748 -4.279 -12.292 1.00 0.00 C ATOM 678 C SER A 43 -8.900 -4.203 -13.809 1.00 0.00 C ATOM 679 O SER A 43 -9.618 -3.346 -14.322 1.00 0.00 O ATOM 680 CB SER A 43 -7.773 -3.205 -11.811 1.00 0.00 C ATOM 681 OG SER A 43 -6.469 -3.432 -12.324 1.00 0.00 O ATOM 0 H SER A 43 -7.298 -5.626 -11.604 1.00 0.00 H new ATOM 0 HA SER A 43 -9.727 -4.108 -11.844 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.125 -2.223 -12.126 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.743 -3.199 -10.721 1.00 0.00 H new ATOM 0 HG SER A 43 -5.928 -3.893 -11.649 1.00 0.00 H new ATOM 687 N SER A 44 -8.206 -5.104 -14.511 1.00 0.00 N ATOM 688 CA SER A 44 -8.223 -5.153 -15.972 1.00 0.00 C ATOM 689 C SER A 44 -7.534 -3.914 -16.559 1.00 0.00 C ATOM 690 O SER A 44 -7.664 -3.611 -17.751 1.00 0.00 O ATOM 691 CB SER A 44 -9.667 -5.281 -16.486 1.00 0.00 C ATOM 692 OG SER A 44 -9.703 -5.683 -17.846 1.00 0.00 O ATOM 0 H SER A 44 -7.618 -5.818 -14.081 1.00 0.00 H new ATOM 0 HA SER A 44 -7.668 -6.032 -16.300 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.208 -6.006 -15.877 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.180 -4.326 -16.375 1.00 0.00 H new ATOM 0 HG SER A 44 -8.986 -5.233 -18.339 1.00 0.00 H new ATOM 698 N LEU A 45 -6.774 -3.220 -15.717 1.00 0.00 N ATOM 699 CA LEU A 45 -6.065 -2.017 -16.127 1.00 0.00 C ATOM 700 C LEU A 45 -4.713 -2.375 -16.739 1.00 0.00 C ATOM 701 O LEU A 45 -4.169 -3.447 -16.471 1.00 0.00 O ATOM 702 CB LEU A 45 -5.867 -1.080 -14.930 1.00 0.00 C ATOM 703 CG LEU A 45 -7.154 -0.564 -14.279 1.00 0.00 C ATOM 704 CD1 LEU A 45 -6.829 0.317 -13.083 1.00 0.00 C ATOM 705 CD2 LEU A 45 -7.997 0.203 -15.288 1.00 0.00 C ATOM 0 H LEU A 45 -6.634 -3.475 -14.739 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.665 -1.505 -16.880 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.282 -1.603 -14.174 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.276 -0.224 -15.254 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.729 -1.423 -13.932 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.755 0.675 -12.633 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.267 -0.260 -12.348 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.232 1.168 -13.410 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.906 0.561 -14.805 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.428 1.053 -15.666 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.261 -0.454 -16.116 1.00 0.00 H new ATOM 717 N PRO A 46 -4.159 -1.482 -17.576 1.00 0.00 N ATOM 718 CA PRO A 46 -2.860 -1.698 -18.225 1.00 0.00 C ATOM 719 C PRO A 46 -1.714 -1.831 -17.221 1.00 0.00 C ATOM 720 O PRO A 46 -1.729 -1.208 -16.155 1.00 0.00 O ATOM 721 CB PRO A 46 -2.668 -0.446 -19.091 1.00 0.00 C ATOM 722 CG PRO A 46 -3.599 0.570 -18.524 1.00 0.00 C ATOM 723 CD PRO A 46 -4.762 -0.199 -17.973 1.00 0.00 C ATOM 0 HA PRO A 46 -2.849 -2.629 -18.792 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.636 -0.097 -19.055 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.899 -0.651 -20.136 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.111 1.153 -17.743 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.924 1.273 -19.291 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.217 0.312 -17.124 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.544 -0.336 -18.719 1.00 0.00 H new ATOM 731 N GLN A 47 -0.720 -2.636 -17.584 1.00 0.00 N ATOM 732 CA GLN A 47 0.433 -2.905 -16.728 1.00 0.00 C ATOM 733 C GLN A 47 1.175 -1.628 -16.353 1.00 0.00 C ATOM 734 O GLN A 47 1.759 -1.544 -15.276 1.00 0.00 O ATOM 735 CB GLN A 47 1.400 -3.869 -17.415 1.00 0.00 C ATOM 736 CG GLN A 47 0.844 -5.272 -17.614 1.00 0.00 C ATOM 737 CD GLN A 47 1.811 -6.172 -18.360 1.00 0.00 C ATOM 738 OE1 GLN A 47 2.586 -5.713 -19.202 1.00 0.00 O ATOM 739 NE2 GLN A 47 1.781 -7.461 -18.057 1.00 0.00 N ATOM 0 H GLN A 47 -0.690 -3.121 -18.481 1.00 0.00 H new ATOM 0 HA GLN A 47 0.050 -3.359 -15.814 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.676 -3.458 -18.386 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.314 -3.933 -16.824 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.617 -5.712 -16.643 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.095 -5.214 -18.165 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.126 -7.805 -17.355 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.413 -8.110 -18.526 1.00 0.00 H new ATOM 748 N ALA A 48 1.155 -0.640 -17.243 1.00 0.00 N ATOM 749 CA ALA A 48 1.781 0.648 -16.971 1.00 0.00 C ATOM 750 C ALA A 48 1.237 1.247 -15.680 1.00 0.00 C ATOM 751 O ALA A 48 1.993 1.749 -14.847 1.00 0.00 O ATOM 752 CB ALA A 48 1.560 1.610 -18.128 1.00 0.00 C ATOM 0 H ALA A 48 0.712 -0.708 -18.159 1.00 0.00 H new ATOM 0 HA ALA A 48 2.853 0.485 -16.856 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.036 2.565 -17.903 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.995 1.193 -19.036 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.491 1.763 -18.275 1.00 0.00 H new ATOM 758 N GLN A 49 -0.076 1.167 -15.515 1.00 0.00 N ATOM 759 CA GLN A 49 -0.722 1.660 -14.316 1.00 0.00 C ATOM 760 C GLN A 49 -0.446 0.722 -13.150 1.00 0.00 C ATOM 761 O GLN A 49 -0.144 1.167 -12.045 1.00 0.00 O ATOM 762 CB GLN A 49 -2.229 1.792 -14.536 1.00 0.00 C ATOM 763 CG GLN A 49 -2.602 2.750 -15.655 1.00 0.00 C ATOM 764 CD GLN A 49 -2.058 4.145 -15.431 1.00 0.00 C ATOM 765 OE1 GLN A 49 -0.951 4.469 -15.861 1.00 0.00 O ATOM 766 NE2 GLN A 49 -2.828 4.984 -14.758 1.00 0.00 N ATOM 0 H GLN A 49 -0.713 0.763 -16.202 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.317 2.645 -14.084 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.642 0.808 -14.759 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.694 2.130 -13.610 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.223 2.363 -16.601 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.688 2.797 -15.742 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.740 4.678 -14.418 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.510 5.937 -14.580 1.00 0.00 H new ATOM 775 N LEU A 50 -0.523 -0.575 -13.421 1.00 0.00 N ATOM 776 CA LEU A 50 -0.319 -1.595 -12.406 1.00 0.00 C ATOM 777 C LEU A 50 1.065 -1.481 -11.773 1.00 0.00 C ATOM 778 O LEU A 50 1.196 -1.494 -10.548 1.00 0.00 O ATOM 779 CB LEU A 50 -0.498 -2.978 -13.029 1.00 0.00 C ATOM 780 CG LEU A 50 -1.894 -3.265 -13.589 1.00 0.00 C ATOM 781 CD1 LEU A 50 -1.937 -4.643 -14.226 1.00 0.00 C ATOM 782 CD2 LEU A 50 -2.945 -3.148 -12.495 1.00 0.00 C ATOM 0 H LEU A 50 -0.728 -0.946 -14.349 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.058 -1.448 -11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.229 -3.094 -13.833 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.264 -3.731 -12.276 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.116 -2.523 -14.356 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.936 -4.831 -14.619 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.212 -4.691 -15.039 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.693 -5.397 -13.478 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.930 -3.356 -12.913 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.728 -3.866 -11.704 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.931 -2.139 -12.083 1.00 0.00 H new ATOM 794 N ALA A 51 2.092 -1.355 -12.607 1.00 0.00 N ATOM 795 CA ALA A 51 3.459 -1.240 -12.119 1.00 0.00 C ATOM 796 C ALA A 51 3.640 0.043 -11.319 1.00 0.00 C ATOM 797 O ALA A 51 4.279 0.044 -10.269 1.00 0.00 O ATOM 798 CB ALA A 51 4.448 -1.287 -13.272 1.00 0.00 C ATOM 0 H ALA A 51 2.002 -1.330 -13.623 1.00 0.00 H new ATOM 0 HA ALA A 51 3.655 -2.087 -11.462 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.463 -1.199 -12.885 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.343 -2.233 -13.803 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.248 -0.462 -13.956 1.00 0.00 H new ATOM 804 N SER A 52 3.059 1.127 -11.818 1.00 0.00 N ATOM 805 CA SER A 52 3.157 2.417 -11.158 1.00 0.00 C ATOM 806 C SER A 52 2.479 2.368 -9.790 1.00 0.00 C ATOM 807 O SER A 52 2.996 2.909 -8.815 1.00 0.00 O ATOM 808 CB SER A 52 2.533 3.513 -12.032 1.00 0.00 C ATOM 809 OG SER A 52 2.815 4.802 -11.519 1.00 0.00 O ATOM 0 H SER A 52 2.514 1.135 -12.680 1.00 0.00 H new ATOM 0 HA SER A 52 4.211 2.653 -11.010 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.916 3.432 -13.049 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.454 3.368 -12.085 1.00 0.00 H new ATOM 0 HG SER A 52 2.407 5.480 -12.096 1.00 0.00 H new ATOM 815 N ILE A 53 1.332 1.704 -9.721 1.00 0.00 N ATOM 816 CA ILE A 53 0.598 1.571 -8.470 1.00 0.00 C ATOM 817 C ILE A 53 1.353 0.690 -7.479 1.00 0.00 C ATOM 818 O ILE A 53 1.443 1.022 -6.302 1.00 0.00 O ATOM 819 CB ILE A 53 -0.822 1.010 -8.715 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.666 2.046 -9.463 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.496 0.616 -7.406 1.00 0.00 C ATOM 822 CD1 ILE A 53 -3.050 1.565 -9.836 1.00 0.00 C ATOM 0 H ILE A 53 0.889 1.248 -10.519 1.00 0.00 H new ATOM 0 HA ILE A 53 0.504 2.567 -8.038 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.736 0.110 -9.324 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.758 2.938 -8.844 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.139 2.341 -10.371 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.492 0.226 -7.613 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.902 -0.150 -6.907 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.576 1.491 -6.760 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.581 2.358 -10.362 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.970 0.691 -10.483 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.598 1.298 -8.932 1.00 0.00 H new ATOM 834 N TRP A 54 1.902 -0.424 -7.959 1.00 0.00 N ATOM 835 CA TRP A 54 2.729 -1.290 -7.119 1.00 0.00 C ATOM 836 C TRP A 54 3.924 -0.519 -6.579 1.00 0.00 C ATOM 837 O TRP A 54 4.207 -0.541 -5.380 1.00 0.00 O ATOM 838 CB TRP A 54 3.225 -2.503 -7.911 1.00 0.00 C ATOM 839 CG TRP A 54 4.205 -3.345 -7.143 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.567 -3.238 -7.161 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.898 -4.407 -6.233 1.00 0.00 C ATOM 842 NE1 TRP A 54 6.124 -4.181 -6.329 1.00 0.00 N ATOM 843 CE2 TRP A 54 5.120 -4.906 -5.747 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.709 -4.984 -5.787 1.00 0.00 C ATOM 845 CZ2 TRP A 54 5.186 -5.956 -4.834 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.776 -6.023 -4.880 1.00 0.00 C ATOM 847 CH2 TRP A 54 4.006 -6.500 -4.412 1.00 0.00 C ATOM 0 H TRP A 54 1.791 -0.748 -8.920 1.00 0.00 H new ATOM 0 HA TRP A 54 2.115 -1.636 -6.288 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.371 -3.118 -8.196 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.693 -2.161 -8.834 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.124 -2.519 -7.743 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.122 -4.318 -6.172 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.755 -4.625 -6.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.134 -6.326 -4.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.862 -6.476 -4.525 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.022 -7.315 -3.703 1.00 0.00 H new ATOM 858 N ASN A 55 4.614 0.160 -7.481 1.00 0.00 N ATOM 859 CA ASN A 55 5.794 0.941 -7.135 1.00 0.00 C ATOM 860 C ASN A 55 5.451 2.023 -6.104 1.00 0.00 C ATOM 861 O ASN A 55 6.257 2.344 -5.234 1.00 0.00 O ATOM 862 CB ASN A 55 6.382 1.566 -8.409 1.00 0.00 C ATOM 863 CG ASN A 55 7.638 2.381 -8.160 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.747 1.847 -8.127 1.00 0.00 O ATOM 865 ND2 ASN A 55 7.477 3.685 -8.027 1.00 0.00 N ATOM 0 H ASN A 55 4.374 0.186 -8.472 1.00 0.00 H new ATOM 0 HA ASN A 55 6.537 0.283 -6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.608 0.773 -9.122 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.630 2.205 -8.871 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.289 4.288 -7.891 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.541 4.089 -8.060 1.00 0.00 H new ATOM 872 N LEU A 56 4.254 2.590 -6.225 1.00 0.00 N ATOM 873 CA LEU A 56 3.755 3.574 -5.265 1.00 0.00 C ATOM 874 C LEU A 56 3.317 2.916 -3.955 1.00 0.00 C ATOM 875 O LEU A 56 3.403 3.522 -2.889 1.00 0.00 O ATOM 876 CB LEU A 56 2.577 4.352 -5.867 1.00 0.00 C ATOM 877 CG LEU A 56 2.942 5.376 -6.944 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.683 5.993 -7.535 1.00 0.00 C ATOM 879 CD2 LEU A 56 3.847 6.456 -6.368 1.00 0.00 C ATOM 0 H LEU A 56 3.606 2.383 -6.985 1.00 0.00 H new ATOM 0 HA LEU A 56 4.574 4.259 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.873 3.637 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.057 4.869 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 56 3.483 4.864 -7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.958 6.719 -8.300 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.070 5.211 -7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.118 6.492 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.097 7.176 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.332 6.967 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.762 6.000 -5.989 1.00 0.00 H new ATOM 891 N SER A 57 2.844 1.681 -4.051 1.00 0.00 N ATOM 892 CA SER A 57 2.261 0.979 -2.914 1.00 0.00 C ATOM 893 C SER A 57 3.314 0.647 -1.858 1.00 0.00 C ATOM 894 O SER A 57 3.123 0.934 -0.674 1.00 0.00 O ATOM 895 CB SER A 57 1.570 -0.301 -3.393 1.00 0.00 C ATOM 896 OG SER A 57 0.861 -0.938 -2.344 1.00 0.00 O ATOM 0 H SER A 57 2.853 1.139 -4.915 1.00 0.00 H new ATOM 0 HA SER A 57 1.526 1.638 -2.451 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.882 -0.062 -4.204 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.314 -0.987 -3.798 1.00 0.00 H new ATOM 0 HG SER A 57 0.329 -0.274 -1.858 1.00 0.00 H new ATOM 902 N ASP A 58 4.412 0.034 -2.277 1.00 0.00 N ATOM 903 CA ASP A 58 5.470 -0.327 -1.340 1.00 0.00 C ATOM 904 C ASP A 58 6.508 0.787 -1.277 1.00 0.00 C ATOM 905 O ASP A 58 7.139 1.130 -2.280 1.00 0.00 O ATOM 906 CB ASP A 58 6.132 -1.654 -1.733 1.00 0.00 C ATOM 907 CG ASP A 58 7.012 -2.224 -0.629 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.554 -1.437 0.177 1.00 0.00 O ATOM 909 OD2 ASP A 58 7.178 -3.463 -0.570 1.00 0.00 O ATOM 0 H ASP A 58 4.594 -0.222 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 58 5.024 -0.458 -0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.359 -2.379 -1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.733 -1.503 -2.629 1.00 0.00 H new ATOM 914 N ILE A 59 6.675 1.346 -0.087 1.00 0.00 N ATOM 915 CA ILE A 59 7.558 2.487 0.120 1.00 0.00 C ATOM 916 C ILE A 59 9.028 2.076 0.019 1.00 0.00 C ATOM 917 O ILE A 59 9.865 2.832 -0.484 1.00 0.00 O ATOM 918 CB ILE A 59 7.296 3.164 1.495 1.00 0.00 C ATOM 919 CG1 ILE A 59 5.893 3.788 1.548 1.00 0.00 C ATOM 920 CG2 ILE A 59 8.346 4.227 1.794 1.00 0.00 C ATOM 921 CD1 ILE A 59 4.764 2.791 1.720 1.00 0.00 C ATOM 0 H ILE A 59 6.205 1.024 0.759 1.00 0.00 H new ATOM 0 HA ILE A 59 7.340 3.206 -0.670 1.00 0.00 H new ATOM 0 HB ILE A 59 7.361 2.386 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.858 4.502 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.726 4.352 0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.137 4.683 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.334 3.767 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.320 4.993 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.812 3.321 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.766 2.091 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.901 2.243 2.653 1.00 0.00 H new ATOM 933 N ASP A 60 9.346 0.871 0.471 1.00 0.00 N ATOM 934 CA ASP A 60 10.734 0.428 0.505 1.00 0.00 C ATOM 935 C ASP A 60 10.981 -0.641 -0.552 1.00 0.00 C ATOM 936 O ASP A 60 12.128 -0.960 -0.870 1.00 0.00 O ATOM 937 CB ASP A 60 11.090 -0.091 1.900 1.00 0.00 C ATOM 938 CG ASP A 60 12.588 -0.132 2.144 1.00 0.00 C ATOM 939 OD1 ASP A 60 13.267 0.882 1.863 1.00 0.00 O ATOM 940 OD2 ASP A 60 13.086 -1.158 2.653 1.00 0.00 O ATOM 0 H ASP A 60 8.671 0.189 0.816 1.00 0.00 H new ATOM 0 HA ASP A 60 11.378 1.279 0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.621 0.545 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.678 -1.092 2.027 1.00 0.00 H new ATOM 945 N GLN A 61 9.888 -1.170 -1.096 1.00 0.00 N ATOM 946 CA GLN A 61 9.926 -2.179 -2.155 1.00 0.00 C ATOM 947 C GLN A 61 10.520 -3.485 -1.648 1.00 0.00 C ATOM 948 O GLN A 61 11.463 -4.027 -2.229 1.00 0.00 O ATOM 949 CB GLN A 61 10.688 -1.667 -3.381 1.00 0.00 C ATOM 950 CG GLN A 61 9.994 -0.506 -4.077 1.00 0.00 C ATOM 951 CD GLN A 61 10.744 -0.016 -5.301 1.00 0.00 C ATOM 952 OE1 GLN A 61 11.443 -0.781 -5.974 1.00 0.00 O ATOM 953 NE2 GLN A 61 10.601 1.264 -5.601 1.00 0.00 N ATOM 0 H GLN A 61 8.943 -0.910 -0.813 1.00 0.00 H new ATOM 0 HA GLN A 61 8.899 -2.376 -2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.687 -1.354 -3.076 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.813 -2.485 -4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.990 -0.813 -4.371 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.881 0.318 -3.372 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.014 1.862 -5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.077 1.653 -6.415 1.00 0.00 H new ATOM 962 N ASP A 62 9.943 -3.996 -0.568 1.00 0.00 N ATOM 963 CA ASP A 62 10.390 -5.254 0.013 1.00 0.00 C ATOM 964 C ASP A 62 9.623 -6.416 -0.615 1.00 0.00 C ATOM 965 O ASP A 62 10.081 -7.562 -0.607 1.00 0.00 O ATOM 966 CB ASP A 62 10.218 -5.245 1.536 1.00 0.00 C ATOM 967 CG ASP A 62 10.877 -6.441 2.195 1.00 0.00 C ATOM 968 OD1 ASP A 62 12.089 -6.655 1.975 1.00 0.00 O ATOM 969 OD2 ASP A 62 10.193 -7.174 2.942 1.00 0.00 O ATOM 0 H ASP A 62 9.164 -3.558 -0.077 1.00 0.00 H new ATOM 0 HA ASP A 62 11.452 -5.380 -0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.644 -4.328 1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.156 -5.238 1.780 1.00 0.00 H new ATOM 974 N GLY A 63 8.444 -6.117 -1.157 1.00 0.00 N ATOM 975 CA GLY A 63 7.739 -7.092 -1.972 1.00 0.00 C ATOM 976 C GLY A 63 6.564 -7.751 -1.276 1.00 0.00 C ATOM 977 O GLY A 63 5.924 -8.632 -1.850 1.00 0.00 O ATOM 0 H GLY A 63 7.967 -5.222 -1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.382 -6.602 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.442 -7.864 -2.284 1.00 0.00 H new ATOM 981 N LYS A 64 6.279 -7.358 -0.042 1.00 0.00 N ATOM 982 CA LYS A 64 5.139 -7.916 0.672 1.00 0.00 C ATOM 983 C LYS A 64 4.136 -6.823 0.995 1.00 0.00 C ATOM 984 O LYS A 64 4.510 -5.723 1.393 1.00 0.00 O ATOM 985 CB LYS A 64 5.562 -8.616 1.970 1.00 0.00 C ATOM 986 CG LYS A 64 6.627 -9.687 1.797 1.00 0.00 C ATOM 987 CD LYS A 64 8.017 -9.086 1.671 1.00 0.00 C ATOM 988 CE LYS A 64 9.092 -10.154 1.595 1.00 0.00 C ATOM 989 NZ LYS A 64 10.446 -9.556 1.476 1.00 0.00 N ATOM 0 H LYS A 64 6.814 -6.664 0.480 1.00 0.00 H new ATOM 0 HA LYS A 64 4.682 -8.659 0.019 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.932 -7.865 2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.682 -9.069 2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.601 -10.367 2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.406 -10.280 0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.063 -8.461 0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.210 -8.437 2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.047 -10.781 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.903 -10.802 0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.157 -10.313 1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.495 -8.978 0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.635 -8.957 2.305 1.00 0.00 H new ATOM 1003 N LEU A 65 2.865 -7.127 0.822 1.00 0.00 N ATOM 1004 CA LEU A 65 1.813 -6.176 1.116 1.00 0.00 C ATOM 1005 C LEU A 65 1.000 -6.645 2.313 1.00 0.00 C ATOM 1006 O LEU A 65 0.242 -7.611 2.215 1.00 0.00 O ATOM 1007 CB LEU A 65 0.893 -5.993 -0.101 1.00 0.00 C ATOM 1008 CG LEU A 65 1.532 -5.331 -1.329 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.461 -4.907 -2.319 1.00 0.00 C ATOM 1010 CD2 LEU A 65 2.377 -4.133 -0.933 1.00 0.00 C ATOM 0 H LEU A 65 2.536 -8.029 0.478 1.00 0.00 H new ATOM 0 HA LEU A 65 2.274 -5.217 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.513 -6.971 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.033 -5.396 0.204 1.00 0.00 H new ATOM 0 HG LEU A 65 2.184 -6.066 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.930 -4.439 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.104 -5.782 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.213 -4.195 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.816 -3.686 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.751 -3.397 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.172 -4.455 -0.260 1.00 0.00 H new ATOM 1022 N THR A 66 1.178 -5.998 3.459 1.00 0.00 N ATOM 1023 CA THR A 66 0.327 -6.279 4.602 1.00 0.00 C ATOM 1024 C THR A 66 -0.952 -5.461 4.466 1.00 0.00 C ATOM 1025 O THR A 66 -1.252 -4.960 3.380 1.00 0.00 O ATOM 1026 CB THR A 66 1.015 -5.980 5.954 1.00 0.00 C ATOM 1027 OG1 THR A 66 1.082 -4.573 6.184 1.00 0.00 O ATOM 1028 CG2 THR A 66 2.418 -6.568 5.997 1.00 0.00 C ATOM 0 H THR A 66 1.892 -5.287 3.618 1.00 0.00 H new ATOM 0 HA THR A 66 0.105 -7.346 4.604 1.00 0.00 H new ATOM 0 HB THR A 66 0.416 -6.444 6.737 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.955 -4.235 5.893 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.878 -6.342 6.959 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.364 -7.649 5.865 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.019 -6.135 5.197 1.00 0.00 H new ATOM 1036 N ALA A 67 -1.703 -5.323 5.546 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.990 -4.649 5.484 1.00 0.00 C ATOM 1038 C ALA A 67 -2.862 -3.218 4.973 1.00 0.00 C ATOM 1039 O ALA A 67 -3.521 -2.847 4.006 1.00 0.00 O ATOM 1040 CB ALA A 67 -3.676 -4.678 6.840 1.00 0.00 C ATOM 0 H ALA A 67 -1.446 -5.666 6.471 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.607 -5.193 4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.637 -4.169 6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.834 -5.712 7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.049 -4.174 7.576 1.00 0.00 H new ATOM 1046 N GLU A 68 -1.994 -2.433 5.595 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.854 -1.026 5.231 1.00 0.00 C ATOM 1048 C GLU A 68 -1.345 -0.864 3.800 1.00 0.00 C ATOM 1049 O GLU A 68 -1.802 0.011 3.067 1.00 0.00 O ATOM 1050 CB GLU A 68 -0.920 -0.286 6.194 1.00 0.00 C ATOM 1051 CG GLU A 68 -1.499 -0.051 7.582 1.00 0.00 C ATOM 1052 CD GLU A 68 -1.638 -1.317 8.397 1.00 0.00 C ATOM 1053 OE1 GLU A 68 -0.621 -1.782 8.955 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -2.760 -1.849 8.494 1.00 0.00 O ATOM 0 H GLU A 68 -1.379 -2.741 6.349 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.849 -0.586 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.005 -0.855 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.657 0.677 5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.861 0.650 8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.478 0.419 7.485 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.422 -1.717 3.389 1.00 0.00 N ATOM 1062 CA GLU A 69 0.189 -1.575 2.073 1.00 0.00 C ATOM 1063 C GLU A 69 -0.789 -1.989 0.985 1.00 0.00 C ATOM 1064 O GLU A 69 -0.910 -1.325 -0.043 1.00 0.00 O ATOM 1065 CB GLU A 69 1.480 -2.392 1.946 1.00 0.00 C ATOM 1066 CG GLU A 69 2.568 -2.008 2.937 1.00 0.00 C ATOM 1067 CD GLU A 69 2.385 -2.671 4.281 1.00 0.00 C ATOM 1068 OE1 GLU A 69 2.879 -3.802 4.463 1.00 0.00 O ATOM 1069 OE2 GLU A 69 1.732 -2.079 5.159 1.00 0.00 O ATOM 0 H GLU A 69 -0.081 -2.506 3.937 1.00 0.00 H new ATOM 0 HA GLU A 69 0.446 -0.523 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.242 -3.447 2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.870 -2.277 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.540 -2.283 2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.572 -0.926 3.067 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.505 -3.078 1.230 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.451 -3.597 0.259 1.00 0.00 C ATOM 1078 C PHE A 70 -3.644 -2.656 0.110 1.00 0.00 C ATOM 1079 O PHE A 70 -4.134 -2.432 -1.002 1.00 0.00 O ATOM 1080 CB PHE A 70 -2.920 -4.993 0.670 1.00 0.00 C ATOM 1081 CG PHE A 70 -3.806 -5.639 -0.351 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -5.172 -5.443 -0.315 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -3.269 -6.433 -1.351 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -5.989 -6.022 -1.257 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -4.086 -7.020 -2.298 1.00 0.00 C ATOM 1086 CZ PHE A 70 -5.449 -6.813 -2.248 1.00 0.00 C ATOM 0 H PHE A 70 -1.447 -3.617 2.094 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.950 -3.667 -0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.050 -5.627 0.840 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.456 -4.926 1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.603 -4.828 0.461 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.202 -6.595 -1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.056 -5.857 -1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.659 -7.638 -3.074 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.092 -7.270 -2.985 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.104 -2.104 1.230 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.203 -1.144 1.216 1.00 0.00 C ATOM 1098 C ILE A 71 -4.844 0.066 0.352 1.00 0.00 C ATOM 1099 O ILE A 71 -5.685 0.587 -0.386 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.568 -0.686 2.651 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -6.270 -1.816 3.414 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.440 0.561 2.629 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.561 -1.476 4.862 1.00 0.00 C ATOM 0 H ILE A 71 -3.732 -2.305 2.158 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.074 -1.640 0.787 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.641 -0.438 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.206 -2.057 2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.648 -2.710 3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.678 0.856 3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.905 1.371 2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.362 0.350 2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.058 -2.320 5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.626 -1.263 5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.208 -0.600 4.907 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.587 0.491 0.429 1.00 0.00 N ATOM 1116 CA LEU A 72 -3.099 1.594 -0.390 1.00 0.00 C ATOM 1117 C LEU A 72 -3.218 1.246 -1.871 1.00 0.00 C ATOM 1118 O LEU A 72 -3.785 2.014 -2.650 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.640 1.917 -0.043 1.00 0.00 C ATOM 1120 CG LEU A 72 -1.032 3.093 -0.812 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.800 4.376 -0.533 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.436 3.259 -0.451 1.00 0.00 C ATOM 0 H LEU A 72 -2.887 0.087 1.051 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.710 2.473 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.576 2.129 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.034 1.030 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.105 2.880 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.350 5.198 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.838 4.253 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.763 4.597 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.854 4.099 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.529 3.448 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.979 2.349 -0.707 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.707 0.075 -2.239 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.735 -0.383 -3.623 1.00 0.00 C ATOM 1136 C ALA A 73 -4.164 -0.453 -4.152 1.00 0.00 C ATOM 1137 O ALA A 73 -4.466 0.083 -5.219 1.00 0.00 O ATOM 1138 CB ALA A 73 -2.056 -1.741 -3.746 1.00 0.00 C ATOM 0 H ALA A 73 -2.265 -0.578 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.188 0.340 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.085 -2.070 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.019 -1.660 -3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.577 -2.466 -3.121 1.00 0.00 H new ATOM 1144 N MET A 74 -5.042 -1.103 -3.394 1.00 0.00 N ATOM 1145 CA MET A 74 -6.444 -1.229 -3.780 1.00 0.00 C ATOM 1146 C MET A 74 -7.104 0.135 -3.919 1.00 0.00 C ATOM 1147 O MET A 74 -7.910 0.353 -4.817 1.00 0.00 O ATOM 1148 CB MET A 74 -7.212 -2.064 -2.760 1.00 0.00 C ATOM 1149 CG MET A 74 -7.149 -3.564 -2.998 1.00 0.00 C ATOM 1150 SD MET A 74 -8.443 -4.164 -4.113 1.00 0.00 S ATOM 1151 CE MET A 74 -7.896 -3.519 -5.694 1.00 0.00 C ATOM 0 H MET A 74 -4.807 -1.551 -2.508 1.00 0.00 H new ATOM 0 HA MET A 74 -6.471 -1.730 -4.748 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.821 -1.850 -1.765 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.256 -1.751 -2.766 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.174 -3.819 -3.413 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.234 -4.081 -2.042 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.253 -4.167 -6.494 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.296 -2.515 -5.835 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.807 -3.482 -5.715 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.746 1.052 -3.033 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.322 2.390 -3.050 1.00 0.00 C ATOM 1163 C HIS A 75 -6.826 3.162 -4.270 1.00 0.00 C ATOM 1164 O HIS A 75 -7.558 3.964 -4.844 1.00 0.00 O ATOM 1165 CB HIS A 75 -6.978 3.138 -1.757 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.667 4.460 -1.613 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -9.011 4.588 -1.334 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -7.181 5.719 -1.686 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -9.315 5.869 -1.237 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -8.224 6.578 -1.448 1.00 0.00 N ATOM 0 H HIS A 75 -6.061 0.896 -2.294 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.407 2.304 -3.114 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.240 2.509 -0.906 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.900 3.296 -1.717 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.159 5.998 -1.894 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.294 6.269 -1.021 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.165 7.596 -1.436 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.581 2.917 -4.659 1.00 0.00 N ATOM 1180 CA LEU A 76 -5.034 3.514 -5.871 1.00 0.00 C ATOM 1181 C LEU A 76 -5.734 2.934 -7.095 1.00 0.00 C ATOM 1182 O LEU A 76 -6.037 3.653 -8.046 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.525 3.276 -5.962 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.694 3.915 -4.845 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.224 3.559 -4.996 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -2.878 5.427 -4.831 1.00 0.00 C ATOM 0 H LEU A 76 -4.933 2.311 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.207 4.590 -5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.342 2.201 -5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.171 3.657 -6.920 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.047 3.518 -3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.653 4.023 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.105 2.477 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.859 3.921 -5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.279 5.859 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.558 5.841 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.929 5.664 -4.666 1.00 0.00 H new ATOM 1198 N ILE A 77 -5.995 1.628 -7.053 1.00 0.00 N ATOM 1199 CA ILE A 77 -6.761 0.953 -8.099 1.00 0.00 C ATOM 1200 C ILE A 77 -8.147 1.580 -8.225 1.00 0.00 C ATOM 1201 O ILE A 77 -8.620 1.844 -9.329 1.00 0.00 O ATOM 1202 CB ILE A 77 -6.914 -0.562 -7.805 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.558 -1.273 -7.880 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -7.909 -1.210 -8.764 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -4.948 -1.292 -9.267 1.00 0.00 C ATOM 0 H ILE A 77 -5.685 1.013 -6.300 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.213 1.072 -9.034 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.301 -0.666 -6.791 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.865 -0.784 -7.196 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.678 -2.299 -7.533 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -7.996 -2.272 -8.535 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.883 -0.734 -8.654 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.559 -1.088 -9.789 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.991 -1.812 -9.236 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.620 -1.808 -9.953 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.794 -0.269 -9.611 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.775 1.825 -7.080 1.00 0.00 N ATOM 1218 CA ASP A 78 -10.105 2.431 -7.025 1.00 0.00 C ATOM 1219 C ASP A 78 -10.124 3.780 -7.747 1.00 0.00 C ATOM 1220 O ASP A 78 -11.065 4.097 -8.477 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.530 2.603 -5.561 1.00 0.00 C ATOM 1222 CG ASP A 78 -11.953 3.107 -5.400 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -12.156 4.341 -5.371 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -12.870 2.271 -5.266 1.00 0.00 O ATOM 0 H ASP A 78 -8.379 1.611 -6.165 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.810 1.772 -7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.431 1.647 -5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.849 3.299 -5.072 1.00 0.00 H new ATOM 1229 N VAL A 79 -9.067 4.563 -7.548 1.00 0.00 N ATOM 1230 CA VAL A 79 -8.939 5.864 -8.194 1.00 0.00 C ATOM 1231 C VAL A 79 -8.586 5.708 -9.675 1.00 0.00 C ATOM 1232 O VAL A 79 -9.160 6.375 -10.537 1.00 0.00 O ATOM 1233 CB VAL A 79 -7.868 6.735 -7.494 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -7.750 8.096 -8.160 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -8.190 6.895 -6.017 1.00 0.00 C ATOM 0 H VAL A 79 -8.284 4.317 -6.942 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.904 6.363 -8.110 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.909 6.226 -7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.991 8.687 -7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.466 7.967 -9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.709 8.612 -8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.426 7.510 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.162 7.375 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.213 5.915 -5.541 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.656 4.809 -9.965 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.211 4.577 -11.335 1.00 0.00 C ATOM 1247 C ALA A 80 -8.341 4.015 -12.196 1.00 0.00 C ATOM 1248 O ALA A 80 -8.429 4.313 -13.388 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.017 3.637 -11.350 1.00 0.00 C ATOM 0 H ALA A 80 -7.193 4.226 -9.268 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.911 5.536 -11.758 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.696 3.473 -12.379 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.199 4.079 -10.781 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.298 2.684 -10.902 1.00 0.00 H new ATOM 1255 N MET A 81 -9.208 3.213 -11.576 1.00 0.00 N ATOM 1256 CA MET A 81 -10.354 2.614 -12.240 1.00 0.00 C ATOM 1257 C MET A 81 -11.275 3.682 -12.826 1.00 0.00 C ATOM 1258 O MET A 81 -11.978 3.441 -13.805 1.00 0.00 O ATOM 1259 CB MET A 81 -11.100 1.765 -11.213 1.00 0.00 C ATOM 1260 CG MET A 81 -11.812 0.568 -11.793 1.00 0.00 C ATOM 1261 SD MET A 81 -13.386 0.982 -12.570 1.00 0.00 S ATOM 1262 CE MET A 81 -13.912 -0.634 -13.134 1.00 0.00 C ATOM 0 H MET A 81 -9.129 2.962 -10.590 1.00 0.00 H new ATOM 0 HA MET A 81 -10.016 1.995 -13.071 1.00 0.00 H new ATOM 0 HB2 MET A 81 -10.391 1.421 -10.460 1.00 0.00 H new ATOM 0 HB3 MET A 81 -11.829 2.393 -10.701 1.00 0.00 H new ATOM 0 HG2 MET A 81 -11.165 0.091 -12.530 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.986 -0.161 -11.002 1.00 0.00 H new ATOM 0 HE1 MET A 81 -14.875 -0.548 -13.638 1.00 0.00 H new ATOM 0 HE2 MET A 81 -13.173 -1.035 -13.828 1.00 0.00 H new ATOM 0 HE3 MET A 81 -14.009 -1.304 -12.280 1.00 0.00 H new ATOM 1272 N SER A 82 -11.248 4.872 -12.238 1.00 0.00 N ATOM 1273 CA SER A 82 -12.087 5.971 -12.692 1.00 0.00 C ATOM 1274 C SER A 82 -11.534 6.575 -13.986 1.00 0.00 C ATOM 1275 O SER A 82 -12.221 7.327 -14.679 1.00 0.00 O ATOM 1276 CB SER A 82 -12.184 7.043 -11.598 1.00 0.00 C ATOM 1277 OG SER A 82 -13.131 8.046 -11.930 1.00 0.00 O ATOM 0 H SER A 82 -10.651 5.100 -11.443 1.00 0.00 H new ATOM 0 HA SER A 82 -13.086 5.585 -12.897 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.464 6.576 -10.654 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.206 7.501 -11.449 1.00 0.00 H new ATOM 0 HG SER A 82 -13.168 8.711 -11.211 1.00 0.00 H new ATOM 1283 N GLY A 83 -10.301 6.218 -14.319 1.00 0.00 N ATOM 1284 CA GLY A 83 -9.656 6.787 -15.485 1.00 0.00 C ATOM 1285 C GLY A 83 -8.858 8.019 -15.131 1.00 0.00 C ATOM 1286 O GLY A 83 -8.641 8.897 -15.967 1.00 0.00 O ATOM 0 H GLY A 83 -9.736 5.544 -13.802 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.999 6.044 -15.937 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.409 7.042 -16.230 1.00 0.00 H new ATOM 1290 N GLN A 84 -8.428 8.086 -13.880 1.00 0.00 N ATOM 1291 CA GLN A 84 -7.682 9.224 -13.387 1.00 0.00 C ATOM 1292 C GLN A 84 -6.180 8.978 -13.502 1.00 0.00 C ATOM 1293 O GLN A 84 -5.714 7.848 -13.335 1.00 0.00 O ATOM 1294 CB GLN A 84 -8.058 9.491 -11.930 1.00 0.00 C ATOM 1295 CG GLN A 84 -9.536 9.789 -11.723 1.00 0.00 C ATOM 1296 CD GLN A 84 -10.007 10.994 -12.516 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -10.458 10.869 -13.655 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -9.895 12.169 -11.921 1.00 0.00 N ATOM 0 H GLN A 84 -8.587 7.356 -13.185 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.933 10.095 -13.993 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.784 8.624 -11.329 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.472 10.333 -11.561 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.122 8.917 -12.012 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.723 9.961 -10.663 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.516 12.228 -10.976 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.188 13.017 -12.407 1.00 0.00 H new ATOM 1307 N PRO A 85 -5.406 10.031 -13.801 1.00 0.00 N ATOM 1308 CA PRO A 85 -3.945 9.948 -13.890 1.00 0.00 C ATOM 1309 C PRO A 85 -3.297 9.722 -12.526 1.00 0.00 C ATOM 1310 O PRO A 85 -3.842 10.119 -11.490 1.00 0.00 O ATOM 1311 CB PRO A 85 -3.531 11.316 -14.461 1.00 0.00 C ATOM 1312 CG PRO A 85 -4.795 11.940 -14.953 1.00 0.00 C ATOM 1313 CD PRO A 85 -5.889 11.383 -14.093 1.00 0.00 C ATOM 0 HA PRO A 85 -3.625 9.107 -14.505 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.059 11.934 -13.697 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -2.809 11.202 -15.269 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.751 13.026 -14.874 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.965 11.703 -16.003 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.029 11.969 -13.185 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.847 11.368 -14.614 1.00 0.00 H new ATOM 1321 N LEU A 86 -2.139 9.078 -12.527 1.00 0.00 N ATOM 1322 CA LEU A 86 -1.420 8.801 -11.292 1.00 0.00 C ATOM 1323 C LEU A 86 -0.385 9.887 -11.035 1.00 0.00 C ATOM 1324 O LEU A 86 0.207 10.421 -11.976 1.00 0.00 O ATOM 1325 CB LEU A 86 -0.735 7.434 -11.371 1.00 0.00 C ATOM 1326 CG LEU A 86 -1.677 6.242 -11.555 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -0.883 4.954 -11.687 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -2.652 6.146 -10.390 1.00 0.00 C ATOM 0 H LEU A 86 -1.677 8.737 -13.370 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.134 8.789 -10.468 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.027 7.448 -12.199 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.157 7.282 -10.460 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.248 6.394 -12.471 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.568 4.116 -11.817 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.223 5.021 -12.552 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.288 4.800 -10.787 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.314 5.293 -10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.097 6.017 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.245 7.059 -10.335 1.00 0.00 H new ATOM 1340 N PRO A 87 -0.169 10.243 -9.762 1.00 0.00 N ATOM 1341 CA PRO A 87 0.819 11.253 -9.381 1.00 0.00 C ATOM 1342 C PRO A 87 2.252 10.739 -9.536 1.00 0.00 C ATOM 1343 O PRO A 87 2.494 9.534 -9.457 1.00 0.00 O ATOM 1344 CB PRO A 87 0.515 11.527 -7.898 1.00 0.00 C ATOM 1345 CG PRO A 87 -0.774 10.826 -7.607 1.00 0.00 C ATOM 1346 CD PRO A 87 -0.868 9.701 -8.594 1.00 0.00 C ATOM 0 HA PRO A 87 0.752 12.140 -10.011 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.316 11.153 -7.260 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.429 12.597 -7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.790 10.449 -6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.619 11.506 -7.710 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.392 8.794 -8.221 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.903 9.447 -8.822 1.00 0.00 H new ATOM 1354 N PRO A 88 3.218 11.650 -9.753 1.00 0.00 N ATOM 1355 CA PRO A 88 4.634 11.288 -9.884 1.00 0.00 C ATOM 1356 C PRO A 88 5.205 10.754 -8.574 1.00 0.00 C ATOM 1357 O PRO A 88 5.994 9.809 -8.560 1.00 0.00 O ATOM 1358 CB PRO A 88 5.313 12.608 -10.279 1.00 0.00 C ATOM 1359 CG PRO A 88 4.386 13.676 -9.808 1.00 0.00 C ATOM 1360 CD PRO A 88 3.000 13.099 -9.902 1.00 0.00 C ATOM 0 HA PRO A 88 4.791 10.492 -10.612 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.293 12.702 -9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.466 12.666 -11.357 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.617 13.969 -8.784 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.478 14.571 -10.424 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.349 13.489 -9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.530 13.338 -10.856 1.00 0.00 H new ATOM 1368 N VAL A 89 4.793 11.368 -7.475 1.00 0.00 N ATOM 1369 CA VAL A 89 5.191 10.929 -6.151 1.00 0.00 C ATOM 1370 C VAL A 89 3.962 10.811 -5.264 1.00 0.00 C ATOM 1371 O VAL A 89 2.931 11.426 -5.542 1.00 0.00 O ATOM 1372 CB VAL A 89 6.205 11.894 -5.495 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.527 11.891 -6.250 1.00 0.00 C ATOM 1374 CG2 VAL A 89 5.640 13.307 -5.416 1.00 0.00 C ATOM 0 H VAL A 89 4.176 12.180 -7.478 1.00 0.00 H new ATOM 0 HA VAL A 89 5.678 9.960 -6.259 1.00 0.00 H new ATOM 0 HB VAL A 89 6.390 11.542 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.223 12.578 -5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.947 10.885 -6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.359 12.208 -7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.373 13.966 -4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.415 13.666 -6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.727 13.301 -4.820 1.00 0.00 H new ATOM 1384 N LEU A 90 4.063 10.014 -4.216 1.00 0.00 N ATOM 1385 CA LEU A 90 2.949 9.834 -3.302 1.00 0.00 C ATOM 1386 C LEU A 90 2.899 11.000 -2.314 1.00 0.00 C ATOM 1387 O LEU A 90 3.941 11.477 -1.857 1.00 0.00 O ATOM 1388 CB LEU A 90 3.117 8.505 -2.553 1.00 0.00 C ATOM 1389 CG LEU A 90 1.894 8.013 -1.780 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.792 7.587 -2.738 1.00 0.00 C ATOM 1391 CD2 LEU A 90 2.276 6.862 -0.861 1.00 0.00 C ATOM 0 H LEU A 90 4.901 9.483 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 90 2.014 9.811 -3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.400 7.738 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.947 8.607 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 90 1.518 8.834 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.071 7.240 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.501 8.435 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.155 6.780 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.394 6.523 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.675 6.040 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.032 7.198 -0.152 1.00 0.00 H new ATOM 1403 N PRO A 91 1.692 11.482 -1.978 1.00 0.00 N ATOM 1404 CA PRO A 91 1.517 12.539 -0.987 1.00 0.00 C ATOM 1405 C PRO A 91 1.633 12.009 0.439 1.00 0.00 C ATOM 1406 O PRO A 91 1.349 10.837 0.695 1.00 0.00 O ATOM 1407 CB PRO A 91 0.090 13.053 -1.246 1.00 0.00 C ATOM 1408 CG PRO A 91 -0.376 12.361 -2.488 1.00 0.00 C ATOM 1409 CD PRO A 91 0.413 11.090 -2.573 1.00 0.00 C ATOM 0 HA PRO A 91 2.282 13.310 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.565 12.828 -0.404 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.082 14.135 -1.375 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.445 12.154 -2.442 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.209 12.983 -3.367 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -0.061 10.278 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.529 10.751 -3.602 1.00 0.00 H new ATOM 1417 N PRO A 92 2.030 12.875 1.391 1.00 0.00 N ATOM 1418 CA PRO A 92 2.158 12.503 2.811 1.00 0.00 C ATOM 1419 C PRO A 92 0.853 11.960 3.387 1.00 0.00 C ATOM 1420 O PRO A 92 0.854 11.146 4.314 1.00 0.00 O ATOM 1421 CB PRO A 92 2.536 13.821 3.494 1.00 0.00 C ATOM 1422 CG PRO A 92 3.143 14.649 2.416 1.00 0.00 C ATOM 1423 CD PRO A 92 2.412 14.281 1.157 1.00 0.00 C ATOM 0 HA PRO A 92 2.888 11.707 2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.661 14.310 3.922 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.240 13.656 4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.037 15.712 2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.210 14.447 2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.540 14.915 0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.047 14.385 0.277 1.00 0.00 H new ATOM 1431 N GLU A 93 -0.255 12.412 2.817 1.00 0.00 N ATOM 1432 CA GLU A 93 -1.579 11.962 3.224 1.00 0.00 C ATOM 1433 C GLU A 93 -1.726 10.457 3.031 1.00 0.00 C ATOM 1434 O GLU A 93 -2.282 9.765 3.878 1.00 0.00 O ATOM 1435 CB GLU A 93 -2.653 12.685 2.411 1.00 0.00 C ATOM 1436 CG GLU A 93 -2.625 14.196 2.565 1.00 0.00 C ATOM 1437 CD GLU A 93 -2.865 14.636 3.992 1.00 0.00 C ATOM 1438 OE1 GLU A 93 -4.031 14.609 4.433 1.00 0.00 O ATOM 1439 OE2 GLU A 93 -1.890 15.024 4.673 1.00 0.00 O ATOM 0 H GLU A 93 -0.262 13.098 2.062 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.703 12.194 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.528 12.434 1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.633 12.316 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.660 14.575 2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.384 14.638 1.919 1.00 0.00 H new ATOM 1446 N TYR A 94 -1.206 9.954 1.924 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.384 8.553 1.571 1.00 0.00 C ATOM 1448 C TYR A 94 -0.193 7.708 2.021 1.00 0.00 C ATOM 1449 O TYR A 94 -0.054 6.557 1.609 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.580 8.406 0.059 1.00 0.00 C ATOM 1451 CG TYR A 94 -2.875 8.993 -0.459 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -4.046 8.245 -0.463 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -2.926 10.290 -0.954 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -5.230 8.773 -0.940 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.106 10.826 -1.435 1.00 0.00 C ATOM 1456 CZ TYR A 94 -5.255 10.065 -1.428 1.00 0.00 C ATOM 1457 OH TYR A 94 -6.433 10.593 -1.908 1.00 0.00 O ATOM 0 H TYR A 94 -0.657 10.493 1.254 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.273 8.193 2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.746 8.887 -0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.545 7.348 -0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.030 7.233 -0.087 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.028 10.890 -0.963 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.132 8.179 -0.931 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.127 11.837 -1.815 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.280 11.512 -2.213 1.00 0.00 H new ATOM 1467 N ILE A 95 0.655 8.275 2.870 1.00 0.00 N ATOM 1468 CA ILE A 95 1.774 7.531 3.434 1.00 0.00 C ATOM 1469 C ILE A 95 1.323 6.788 4.689 1.00 0.00 C ATOM 1470 O ILE A 95 0.974 7.409 5.697 1.00 0.00 O ATOM 1471 CB ILE A 95 2.973 8.451 3.776 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.524 9.106 2.503 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.070 7.664 4.484 1.00 0.00 C ATOM 1474 CD1 ILE A 95 4.697 10.038 2.750 1.00 0.00 C ATOM 0 H ILE A 95 0.590 9.244 3.182 1.00 0.00 H new ATOM 0 HA ILE A 95 2.107 6.820 2.679 1.00 0.00 H new ATOM 0 HB ILE A 95 2.623 9.234 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.833 8.325 1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.724 9.665 2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.903 8.328 4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.676 7.241 5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.417 6.859 3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.031 10.462 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.389 10.842 3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.515 9.480 3.206 1.00 0.00 H new ATOM 1486 N PRO A 96 1.307 5.447 4.631 1.00 0.00 N ATOM 1487 CA PRO A 96 0.851 4.603 5.738 1.00 0.00 C ATOM 1488 C PRO A 96 1.842 4.576 6.901 1.00 0.00 C ATOM 1489 O PRO A 96 3.036 4.836 6.723 1.00 0.00 O ATOM 1490 CB PRO A 96 0.734 3.201 5.109 1.00 0.00 C ATOM 1491 CG PRO A 96 0.909 3.396 3.639 1.00 0.00 C ATOM 1492 CD PRO A 96 1.730 4.639 3.482 1.00 0.00 C ATOM 0 HA PRO A 96 -0.082 4.974 6.163 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.495 2.530 5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.235 2.753 5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.409 2.539 3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.055 3.500 3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.799 4.425 3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.528 5.142 2.536 1.00 0.00 H new ATOM 1500 N PRO A 97 1.348 4.276 8.117 1.00 0.00 N ATOM 1501 CA PRO A 97 2.193 4.111 9.304 1.00 0.00 C ATOM 1502 C PRO A 97 3.228 3.005 9.115 1.00 0.00 C ATOM 1503 O PRO A 97 3.075 2.155 8.237 1.00 0.00 O ATOM 1504 CB PRO A 97 1.198 3.732 10.408 1.00 0.00 C ATOM 1505 CG PRO A 97 -0.122 4.220 9.921 1.00 0.00 C ATOM 1506 CD PRO A 97 -0.078 4.084 8.428 1.00 0.00 C ATOM 0 HA PRO A 97 2.766 5.011 9.528 1.00 0.00 H new ATOM 0 HB2 PRO A 97 1.184 2.655 10.574 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.465 4.197 11.357 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.937 3.633 10.344 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.289 5.256 10.215 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.434 3.107 8.102 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.702 4.831 7.937 1.00 0.00 H new ATOM 1514 N SER A 98 4.286 3.046 9.928 1.00 0.00 N ATOM 1515 CA SER A 98 5.392 2.083 9.856 1.00 0.00 C ATOM 1516 C SER A 98 6.259 2.309 8.609 1.00 0.00 C ATOM 1517 O SER A 98 7.372 1.783 8.509 1.00 0.00 O ATOM 1518 CB SER A 98 4.870 0.640 9.895 1.00 0.00 C ATOM 1519 OG SER A 98 4.056 0.424 11.040 1.00 0.00 O ATOM 0 H SER A 98 4.402 3.749 10.658 1.00 0.00 H new ATOM 0 HA SER A 98 6.020 2.246 10.732 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.296 0.433 8.992 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.710 -0.054 9.905 1.00 0.00 H new ATOM 0 HG SER A 98 3.734 -0.501 11.042 1.00 0.00 H new ATOM 1525 N PHE A 99 5.750 3.095 7.665 1.00 0.00 N ATOM 1526 CA PHE A 99 6.488 3.424 6.456 1.00 0.00 C ATOM 1527 C PHE A 99 6.627 4.932 6.310 1.00 0.00 C ATOM 1528 O PHE A 99 6.922 5.438 5.225 1.00 0.00 O ATOM 1529 CB PHE A 99 5.789 2.838 5.228 1.00 0.00 C ATOM 1530 CG PHE A 99 5.868 1.342 5.147 1.00 0.00 C ATOM 1531 CD1 PHE A 99 6.928 0.728 4.495 1.00 0.00 C ATOM 1532 CD2 PHE A 99 4.889 0.550 5.720 1.00 0.00 C ATOM 1533 CE1 PHE A 99 7.006 -0.648 4.415 1.00 0.00 C ATOM 1534 CE2 PHE A 99 4.962 -0.827 5.644 1.00 0.00 C ATOM 1535 CZ PHE A 99 6.022 -1.427 4.991 1.00 0.00 C ATOM 0 H PHE A 99 4.823 3.517 7.718 1.00 0.00 H new ATOM 0 HA PHE A 99 7.484 2.988 6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.741 3.138 5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.233 3.266 4.329 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.701 1.334 4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.059 1.014 6.232 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.835 -1.114 3.903 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.191 -1.435 6.095 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.081 -2.504 4.931 1.00 0.00 H new ATOM 1545 N ARG A 100 6.422 5.648 7.410 1.00 0.00 N ATOM 1546 CA ARG A 100 6.581 7.094 7.410 1.00 0.00 C ATOM 1547 C ARG A 100 8.053 7.439 7.238 1.00 0.00 C ATOM 1548 O ARG A 100 8.877 7.122 8.098 1.00 0.00 O ATOM 1549 CB ARG A 100 6.050 7.712 8.706 1.00 0.00 C ATOM 1550 CG ARG A 100 4.589 7.406 8.985 1.00 0.00 C ATOM 1551 CD ARG A 100 4.105 8.115 10.242 1.00 0.00 C ATOM 1552 NE ARG A 100 4.948 7.816 11.399 1.00 0.00 N ATOM 1553 CZ ARG A 100 4.628 8.105 12.662 1.00 0.00 C ATOM 1554 NH1 ARG A 100 3.485 8.720 12.947 1.00 0.00 N ATOM 1555 NH2 ARG A 100 5.469 7.786 13.637 1.00 0.00 N ATOM 0 H ARG A 100 6.147 5.251 8.308 1.00 0.00 H new ATOM 0 HA ARG A 100 6.004 7.505 6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.651 7.352 9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.182 8.793 8.661 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.982 7.715 8.134 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.456 6.330 9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.094 9.191 10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.079 7.816 10.454 1.00 0.00 H new ATOM 0 HE ARG A 100 5.842 7.355 11.229 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.843 8.976 12.197 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.250 8.936 13.916 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.352 7.324 13.418 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.233 8.003 14.605 1.00 0.00 H new ATOM 1569 N ARG A 101 8.383 8.067 6.120 1.00 0.00 N ATOM 1570 CA ARG A 101 9.768 8.388 5.810 1.00 0.00 C ATOM 1571 C ARG A 101 10.309 9.457 6.766 1.00 0.00 C ATOM 1572 O ARG A 101 10.008 10.644 6.644 1.00 0.00 O ATOM 1573 CB ARG A 101 9.909 8.822 4.341 1.00 0.00 C ATOM 1574 CG ARG A 101 9.131 10.079 3.978 1.00 0.00 C ATOM 1575 CD ARG A 101 9.281 10.430 2.507 1.00 0.00 C ATOM 1576 NE ARG A 101 8.956 11.830 2.253 1.00 0.00 N ATOM 1577 CZ ARG A 101 8.347 12.280 1.159 1.00 0.00 C ATOM 1578 NH1 ARG A 101 7.912 11.440 0.228 1.00 0.00 N ATOM 1579 NH2 ARG A 101 8.169 13.584 1.008 1.00 0.00 N ATOM 0 H ARG A 101 7.711 8.364 5.412 1.00 0.00 H new ATOM 0 HA ARG A 101 10.369 7.489 5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.964 8.987 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.576 8.006 3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 101 8.076 9.934 4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.481 10.912 4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.303 10.229 2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 101 8.629 9.791 1.911 1.00 0.00 H new ATOM 0 HE ARG A 101 9.214 12.513 2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 101 8.043 10.435 0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 101 7.447 11.799 -0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 101 8.497 14.230 1.726 1.00 0.00 H new ATOM 0 HH22 ARG A 101 7.704 13.942 0.174 1.00 0.00 H new ATOM 1593 N VAL A 102 11.070 9.014 7.754 1.00 0.00 N ATOM 1594 CA VAL A 102 11.675 9.919 8.714 1.00 0.00 C ATOM 1595 C VAL A 102 13.186 9.710 8.787 1.00 0.00 C ATOM 1596 O VAL A 102 13.673 8.796 9.454 1.00 0.00 O ATOM 1597 CB VAL A 102 11.047 9.768 10.121 1.00 0.00 C ATOM 1598 CG1 VAL A 102 9.657 10.387 10.154 1.00 0.00 C ATOM 1599 CG2 VAL A 102 10.975 8.307 10.544 1.00 0.00 C ATOM 0 H VAL A 102 11.283 8.029 7.911 1.00 0.00 H new ATOM 0 HA VAL A 102 11.478 10.933 8.365 1.00 0.00 H new ATOM 0 HB VAL A 102 11.689 10.295 10.826 1.00 0.00 H new ATOM 0 HG11 VAL A 102 9.231 10.272 11.151 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.725 11.447 9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 102 9.018 9.886 9.426 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.529 8.237 11.536 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.365 7.752 9.832 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.980 7.885 10.567 1.00 0.00 H new ATOM 1609 N ARG A 103 13.919 10.535 8.052 1.00 0.00 N ATOM 1610 CA ARG A 103 15.378 10.492 8.067 1.00 0.00 C ATOM 1611 C ARG A 103 15.946 11.696 7.325 1.00 0.00 C ATOM 1612 O ARG A 103 17.101 11.696 6.902 1.00 0.00 O ATOM 1613 CB ARG A 103 15.899 9.187 7.441 1.00 0.00 C ATOM 1614 CG ARG A 103 15.573 9.012 5.963 1.00 0.00 C ATOM 1615 CD ARG A 103 16.124 7.691 5.445 1.00 0.00 C ATOM 1616 NE ARG A 103 15.993 7.548 3.993 1.00 0.00 N ATOM 1617 CZ ARG A 103 16.699 6.668 3.274 1.00 0.00 C ATOM 1618 NH1 ARG A 103 17.555 5.854 3.878 1.00 0.00 N ATOM 1619 NH2 ARG A 103 16.539 6.593 1.959 1.00 0.00 N ATOM 0 H ARG A 103 13.527 11.246 7.435 1.00 0.00 H new ATOM 0 HA ARG A 103 15.709 10.525 9.105 1.00 0.00 H new ATOM 0 HB2 ARG A 103 16.981 9.147 7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.482 8.344 7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.493 9.044 5.817 1.00 0.00 H new ATOM 0 HG3 ARG A 103 15.997 9.838 5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 103 17.176 7.609 5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.602 6.869 5.934 1.00 0.00 H new ATOM 0 HE ARG A 103 15.330 8.150 3.505 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.675 5.899 4.890 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.094 5.183 3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.874 7.209 1.490 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.081 5.920 1.417 1.00 0.00 H new ATOM 1633 N LEU A 104 15.137 12.742 7.213 1.00 0.00 N ATOM 1634 CA LEU A 104 15.503 13.914 6.428 1.00 0.00 C ATOM 1635 C LEU A 104 16.475 14.786 7.206 1.00 0.00 C ATOM 1636 O LEU A 104 17.233 15.561 6.625 1.00 0.00 O ATOM 1637 CB LEU A 104 14.261 14.734 6.043 1.00 0.00 C ATOM 1638 CG LEU A 104 13.260 14.044 5.102 1.00 0.00 C ATOM 1639 CD1 LEU A 104 13.981 13.381 3.940 1.00 0.00 C ATOM 1640 CD2 LEU A 104 12.403 13.035 5.851 1.00 0.00 C ATOM 0 H LEU A 104 14.221 12.803 7.657 1.00 0.00 H new ATOM 0 HA LEU A 104 15.983 13.568 5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.737 15.012 6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.593 15.659 5.572 1.00 0.00 H new ATOM 0 HG LEU A 104 12.597 14.811 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.253 12.899 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.531 14.134 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.676 12.634 4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.706 12.564 5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.043 12.273 6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.845 13.544 6.637 1.00 0.00 H new ATOM 1652 N GLU A 105 16.453 14.634 8.526 1.00 0.00 N ATOM 1653 CA GLU A 105 17.324 15.392 9.420 1.00 0.00 C ATOM 1654 C GLU A 105 18.790 15.042 9.183 1.00 0.00 C ATOM 1655 O GLU A 105 19.689 15.764 9.620 1.00 0.00 O ATOM 1656 CB GLU A 105 16.970 15.119 10.889 1.00 0.00 C ATOM 1657 CG GLU A 105 15.479 15.159 11.201 1.00 0.00 C ATOM 1658 CD GLU A 105 14.778 13.854 10.874 1.00 0.00 C ATOM 1659 OE1 GLU A 105 14.765 12.956 11.740 1.00 0.00 O ATOM 1660 OE2 GLU A 105 14.261 13.712 9.743 1.00 0.00 O ATOM 0 H GLU A 105 15.832 13.983 9.007 1.00 0.00 H new ATOM 0 HA GLU A 105 17.171 16.449 9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.360 14.140 11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.478 15.853 11.514 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.339 15.387 12.258 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.015 15.968 10.636 1.00 0.00 H new ATOM 1667 N HIS A 106 19.029 13.926 8.502 1.00 0.00 N ATOM 1668 CA HIS A 106 20.383 13.493 8.203 1.00 0.00 C ATOM 1669 C HIS A 106 20.986 14.333 7.084 1.00 0.00 C ATOM 1670 O HIS A 106 20.638 14.182 5.911 1.00 0.00 O ATOM 1671 CB HIS A 106 20.421 12.006 7.834 1.00 0.00 C ATOM 1672 CG HIS A 106 20.395 11.091 9.021 1.00 0.00 C ATOM 1673 ND1 HIS A 106 21.499 10.391 9.459 1.00 0.00 N ATOM 1674 CD2 HIS A 106 19.389 10.762 9.867 1.00 0.00 C ATOM 1675 CE1 HIS A 106 21.174 9.680 10.521 1.00 0.00 C ATOM 1676 NE2 HIS A 106 19.901 9.885 10.792 1.00 0.00 N ATOM 0 H HIS A 106 18.300 13.307 8.148 1.00 0.00 H new ATOM 0 HA HIS A 106 20.981 13.634 9.103 1.00 0.00 H new ATOM 0 HB2 HIS A 106 19.570 11.778 7.192 1.00 0.00 H new ATOM 0 HB3 HIS A 106 21.322 11.808 7.253 1.00 0.00 H new ATOM 0 HD2 HIS A 106 18.372 11.123 9.822 1.00 0.00 H new ATOM 0 HE1 HIS A 106 21.840 9.037 11.076 1.00 0.00 H new ATOM 0 HE2 HIS A 106 19.382 9.462 11.561 1.00 0.00 H new ATOM 1685 N HIS A 107 21.866 15.236 7.477 1.00 0.00 N ATOM 1686 CA HIS A 107 22.607 16.084 6.552 1.00 0.00 C ATOM 1687 C HIS A 107 24.059 16.114 6.994 1.00 0.00 C ATOM 1688 O HIS A 107 24.697 17.165 7.015 1.00 0.00 O ATOM 1689 CB HIS A 107 22.049 17.513 6.543 1.00 0.00 C ATOM 1690 CG HIS A 107 20.718 17.653 5.874 1.00 0.00 C ATOM 1691 ND1 HIS A 107 19.603 18.157 6.508 1.00 0.00 N ATOM 1692 CD2 HIS A 107 20.335 17.381 4.605 1.00 0.00 C ATOM 1693 CE1 HIS A 107 18.595 18.185 5.659 1.00 0.00 C ATOM 1694 NE2 HIS A 107 19.011 17.721 4.497 1.00 0.00 N ATOM 0 H HIS A 107 22.091 15.405 8.457 1.00 0.00 H new ATOM 0 HA HIS A 107 22.515 15.679 5.544 1.00 0.00 H new ATOM 0 HB2 HIS A 107 21.963 17.863 7.572 1.00 0.00 H new ATOM 0 HB3 HIS A 107 22.764 18.166 6.043 1.00 0.00 H new ATOM 0 HD2 HIS A 107 20.957 16.972 3.822 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.595 18.530 5.878 1.00 0.00 H new ATOM 0 HE2 HIS A 107 18.441 17.630 3.656 1.00 0.00 H new ATOM 1703 N HIS A 108 24.584 14.936 7.307 1.00 0.00 N ATOM 1704 CA HIS A 108 25.862 14.802 8.004 1.00 0.00 C ATOM 1705 C HIS A 108 27.057 15.023 7.067 1.00 0.00 C ATOM 1706 O HIS A 108 28.158 14.527 7.313 1.00 0.00 O ATOM 1707 CB HIS A 108 25.935 13.414 8.650 1.00 0.00 C ATOM 1708 CG HIS A 108 26.935 13.313 9.759 1.00 0.00 C ATOM 1709 ND1 HIS A 108 27.917 12.347 9.807 1.00 0.00 N ATOM 1710 CD2 HIS A 108 27.091 14.062 10.874 1.00 0.00 C ATOM 1711 CE1 HIS A 108 28.633 12.508 10.904 1.00 0.00 C ATOM 1712 NE2 HIS A 108 28.152 13.540 11.570 1.00 0.00 N ATOM 0 H HIS A 108 24.138 14.046 7.086 1.00 0.00 H new ATOM 0 HA HIS A 108 25.917 15.574 8.771 1.00 0.00 H new ATOM 0 HB2 HIS A 108 24.950 13.152 9.037 1.00 0.00 H new ATOM 0 HB3 HIS A 108 26.182 12.680 7.883 1.00 0.00 H new ATOM 0 HD2 HIS A 108 26.492 14.913 11.163 1.00 0.00 H new ATOM 0 HE1 HIS A 108 29.471 11.898 11.206 1.00 0.00 H new ATOM 0 HE2 HIS A 108 28.510 13.892 12.458 1.00 0.00 H new ATOM 1721 N HIS A 109 26.846 15.792 6.010 1.00 0.00 N ATOM 1722 CA HIS A 109 27.910 16.111 5.072 1.00 0.00 C ATOM 1723 C HIS A 109 27.856 17.589 4.693 1.00 0.00 C ATOM 1724 O HIS A 109 27.040 17.999 3.872 1.00 0.00 O ATOM 1725 CB HIS A 109 27.809 15.233 3.818 1.00 0.00 C ATOM 1726 CG HIS A 109 28.908 15.480 2.824 1.00 0.00 C ATOM 1727 ND1 HIS A 109 28.678 15.832 1.515 1.00 0.00 N ATOM 1728 CD2 HIS A 109 30.254 15.440 2.968 1.00 0.00 C ATOM 1729 CE1 HIS A 109 29.831 16.004 0.898 1.00 0.00 C ATOM 1730 NE2 HIS A 109 30.806 15.773 1.757 1.00 0.00 N ATOM 0 H HIS A 109 25.944 16.208 5.780 1.00 0.00 H new ATOM 0 HA HIS A 109 28.866 15.909 5.555 1.00 0.00 H new ATOM 0 HB2 HIS A 109 27.828 14.185 4.116 1.00 0.00 H new ATOM 0 HB3 HIS A 109 26.847 15.410 3.336 1.00 0.00 H new ATOM 0 HD2 HIS A 109 30.793 15.192 3.870 1.00 0.00 H new ATOM 0 HE1 HIS A 109 29.956 16.287 -0.137 1.00 0.00 H new ATOM 0 HE2 HIS A 109 31.804 15.832 1.554 1.00 0.00 H new ATOM 1739 N HIS A 110 28.724 18.381 5.306 1.00 0.00 N ATOM 1740 CA HIS A 110 28.800 19.809 5.017 1.00 0.00 C ATOM 1741 C HIS A 110 30.235 20.221 4.705 1.00 0.00 C ATOM 1742 O HIS A 110 30.681 21.307 5.070 1.00 0.00 O ATOM 1743 CB HIS A 110 28.225 20.653 6.169 1.00 0.00 C ATOM 1744 CG HIS A 110 28.718 20.303 7.548 1.00 0.00 C ATOM 1745 ND1 HIS A 110 27.887 19.807 8.526 1.00 0.00 N ATOM 1746 CD2 HIS A 110 29.942 20.413 8.125 1.00 0.00 C ATOM 1747 CE1 HIS A 110 28.570 19.626 9.638 1.00 0.00 C ATOM 1748 NE2 HIS A 110 29.820 19.985 9.427 1.00 0.00 N ATOM 0 H HIS A 110 29.389 18.059 6.010 1.00 0.00 H new ATOM 0 HA HIS A 110 28.188 20.000 4.136 1.00 0.00 H new ATOM 0 HB2 HIS A 110 28.455 21.701 5.977 1.00 0.00 H new ATOM 0 HB3 HIS A 110 27.139 20.558 6.157 1.00 0.00 H new ATOM 0 HD2 HIS A 110 30.844 20.770 7.650 1.00 0.00 H new ATOM 0 HE1 HIS A 110 28.172 19.247 10.567 1.00 0.00 H new ATOM 0 HE2 HIS A 110 30.572 19.951 10.115 1.00 0.00 H new ATOM 1757 N HIS A 111 30.950 19.337 4.032 1.00 0.00 N ATOM 1758 CA HIS A 111 32.295 19.628 3.560 1.00 0.00 C ATOM 1759 C HIS A 111 32.608 18.751 2.357 1.00 0.00 C ATOM 1760 O HIS A 111 32.598 19.275 1.228 1.00 0.00 O ATOM 1761 CB HIS A 111 33.332 19.408 4.665 1.00 0.00 C ATOM 1762 CG HIS A 111 34.726 19.797 4.263 1.00 0.00 C ATOM 1763 ND1 HIS A 111 35.660 18.894 3.806 1.00 0.00 N ATOM 1764 CD2 HIS A 111 35.341 21.002 4.255 1.00 0.00 C ATOM 1765 CE1 HIS A 111 36.785 19.526 3.536 1.00 0.00 C ATOM 1766 NE2 HIS A 111 36.619 20.806 3.799 1.00 0.00 N ATOM 1767 OXT HIS A 111 32.826 17.535 2.548 1.00 0.00 O ATOM 0 H HIS A 111 30.618 18.401 3.797 1.00 0.00 H new ATOM 0 HA HIS A 111 32.342 20.677 3.269 1.00 0.00 H new ATOM 0 HB2 HIS A 111 33.042 19.983 5.544 1.00 0.00 H new ATOM 0 HB3 HIS A 111 33.326 18.357 4.955 1.00 0.00 H new ATOM 0 HD2 HIS A 111 34.906 21.944 4.553 1.00 0.00 H new ATOM 0 HE1 HIS A 111 37.690 19.071 3.162 1.00 0.00 H new ATOM 0 HE2 HIS A 111 37.326 21.532 3.682 1.00 0.00 H new TER 1776 HIS A 111